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Amit Agarwal

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Published work

50 published item(s)

preprint2026arXiv

GSM-SEM: Benchmark and Framework for Generating Semantically Variant Augmentations

Benchmarks like GSM8K are popular measures of mathematical reasoning, but leaderboard gains can overstate true capability due to memorization of fixed test sets. Most robustness variants apply surface-level perturbations (paraphrases, renamings, number swaps, distractors) that largely preserve the underlying facts, and static releases can themselves become memorization targets over time. We introduce GSM-SEM, a reusable and stochastic framework for generating semantically diverse benchmark variants with substantially higher semantic variance than prior approaches. GSM-SEM perturbs problem statements by modifying entities, attributes, and/or relationships, frequently altering underlying facts and requiring models to recompute solutions under new conditions, while constraining generation to preserve the original calculations/answer and approximate problem difficulty. GSM-SEM generates fresh variants on each run without requiring re-annotation, reducing reliance on static public benchmarks for evaluation and thereby lowering the bias of memorization. We apply GSM-SEM on GSM8K and two existing variation suites (GSM-Symbolic and GSM-Plus), producing GSM8K-SEM, GSM-Symbolic-SEM, and GSM-Plus-SEM. Evaluating 14 SOTA LLMs, we observe consistent performance drops with larger decline when semantic perturbations are coupled with symbolic/plus variations (average drop rate 28% in maximum strictness configuration of GSM-SEM). We publicly release the three SEM variants as fully human-validated datasets. Finally, to demonstrate applicability beyond GSM-style math problems, we apply GSM-SEM to additional benchmarks including BigBenchHard, LogicBench, and NLR-BIRD.

preprint2026arXiv

Intrinsic Gyrotropic Magnetic Current of Orbital Origin

In gyrotropic crystals, an oscillating magnetic field induces a charge response known as the gyrotropic magnetic current. While its conventional origin is attributed to magnetic field modified band energy and shift in the Fermi-surface, a recent study identified an additional spin-driven magnetic displacement contribution. Here, we complete the picture by identifying the orbital counterpart of the magnetic displacement current. Using a density-matrix formulation that incorporates both minimal coupling and spin-Zeeman interactions, we derive the electronic equations of motion in the presence of an oscillating magnetic field and uncover a previously unexplored orbital contribution to the wavepacket velocity. Physically, this contribution arises from the time variation of the magnetic-field induced charge polarization. In the low frequency transport regime, this mechanism becomes purely intrinsic. We illustrate this intrinsic gyrotropic current of orbital origin in the ${\cal P}{\cal T}$-symmetric antiferromagnet CuMnAs. We show that the intrinsic gyrotropic magnetic current reverses sign upon Néel vector reversal, establishing it as a direct probe of antiferromagnetic order in CuMnAs and other $\mathcal{PT}$-symmetric antiferromagnets.

preprint2026arXiv

LLM-Guided Lifecycle-Aware Clustering of Multi-Turn Customer Support Conversations

Clustering customer chat data is vital for cloud providers handling multi service queries. Traditional methods struggle with overlapping concerns and create broad, static clusters that degrade over time. Reclustering disrupts continuity, making issue tracking difficult. We propose an adaptive system that segments multi turn chats into service specific concerns and incrementally refines clusters as new issues arise. Cluster quality is tracked via DaviesBouldin Index and Silhouette Scores, with LLM based splitting applied only to degraded clusters. Our method improves Silhouette Scores by over 100\% and reduces DBI by 65.6\% compared to baselines, enabling scalable, real time analytics without full reclustering.

preprint2026arXiv

Observation of Time-Reversal Symmetry Breaking in the Type-I Superconductor YbSb$_2$

The spontaneous breaking of time-reversal symmetry is a hallmark of unconventional superconductivity, typically observed in type-II superconductors. Here, we report evidence of time-reversal symmetry breaking in the type-I superconductor YbSb$_2$. Zero-field $μ$SR measurements reveal spontaneous internal magnetic fields emerging just below the superconducting transition, while transverse-field $μ$SR confirms a fully gapped type-I superconducting state. Our first-principles calculations identify YbSb$_2$ as a ${\mathbb Z}_2$ topological metal hosting a Dirac nodal line near the Fermi level. Symmetry analysis within the Ginzburg Landau framework indicates an internally antisymmetric nonunitary triplet (INT) state as the most probable superconducting ground state. Calculations based on an effective low-energy model further demonstrate that this INT state hosts gapless Majorana surface modes, establishing YbSb$_2$ as a topological superconductor. Our results highlight YbSb$_2$ as a unique material platform where type-I superconductivity coexists with triplet-pairing and nontrivial topology.

preprint2026arXiv

Pushing on Multilingual Reasoning Models with Language-Mixed Chain-of-Thought

Recent frontier models employ long chain-of-thought reasoning to explore solution spaces in context and achieve stonger performance. While many works study distillation to build smaller yet capable models, most focus on English and little is known about language-specific reasoning. To bridge this gap, we first introduct **Language-Mixed CoT**, a reasoning schema that switches between English and a target language, using English as an anchor to excel in reasoning while minimizing translation artificats. As a Korean case study, we curate **Yi-Sang**: 5.79M native-Korean prompts from web Q&A, exams, STEM, and code; 3.7M long reasoning traces generated from Qwen3-32B; and a targeted 260k high-yield subset. We train ninve models (4B-35B) across six families (Qwen2.5, Llama-3.1, Gemma-3, etc). Our best model, **KO-REAson-35B**, achieves state-of-the-art performance, with the highest overall average score (64.0 \pm 25), ranking first on 5/9 benchmarks and second on the remainder. Samller and mid-sized models also benefit substantially, with an average improvement of +18.6 points across teh evaluated nine benchmarks. Ablations show **Language-Mixed CoT** is more effective than monolingual CoT, also resulting in cross-lingual and mult-modal performance gains. We release our data-curation pipeline, evaluation system, datasets, and models to advance research on language-specific reasoning. Data and model collection: https://huggingface.co/KOREAson.

preprint2026arXiv

RECOR: Reasoning-focused Multi-turn Conversational Retrieval Benchmark

Existing benchmarks treat multi-turn conversation and reasoning-intensive retrieval separately, yet real-world information seeking requires both. To bridge this gap, we present a benchmark for reasoning-based conversational information retrieval comprising 707 conversations (2,971 turns) across eleven domains. To ensure quality, our Decomposition-and-Verification framework transforms complex queries into fact-grounded multi-turn dialogues through multi-level validation, where atomic facts are verified against sources and explicit retrieval reasoning is generated for each turn. Comprehensive evaluation reveals that combining conversation history with reasoning doubles retrieval performance (Baseline .236 $\rightarrow$ History+Reasoning .479 nDCG@10), while reasoning-specialized models substantially outperform dense encoders. Despite these gains, further analysis highlights that implicit reasoning remains challenging, particularly when logical connections are not explicitly stated in the text.

preprint2025arXiv

Band Geometry Induced Third-Harmonic Generation

Third-harmonic generation (THG) is a key nonlinear optical process for ultrafast imaging, terahertz (THz) signal generation, and symmetry-sensitive probes, often dominating in centrosymmetric materials where lower-order responses vanish. Yet, the role of band geometry, Fermi surface effects, and disorder in enabling large and tunable THG remains poorly understood. Here, we develop a finite-frequency quantum kinetic theory of THG based on the density matrix formalism, deriving the third-harmonic conductivity tensor. Our framework isolates five distinct band-geometric contributions to interband and intraband processes, separates Fermi sea from Fermi surface terms, and incorporates disorder effects phenomenologically. We further provide a complete symmetry classification of THG for all 122 magnetic point groups. Applying the theory to the spin-split altermagnet RuO$_2$, we trace its THG response to specific geometric terms. These results establish a predictive foundation for designing materials with enhanced and tunable THG in the finite-frequency regime.

preprint2025arXiv

Modulation of quantum geometry and its coupling to pseudo-electric field by dynamic strain

Two-dimensional materials are a fertile ground for exploring quantum geometric phenomena, with Berry curvature and its first moment, the Berry curvature dipole, playing a central role in their electronic response. These geometric properties influence electronic transport and result in the anomalous and nonlinear Hall effects, and are typically controlled using static electric fields or strain. However, the possibility of modulating quantum geometric quantities in real-time remains unexplored. Here, we demonstrate the dynamic modulation of Berry curvature and its moments, as well as the generation of a pseudo-electric field using time-dependent strain. By placing heterostructures on a membrane, we introduce oscillatory strain together with an in-plane AC electric field and measure Hall signals that are modulated at linear combinations of the frequencies of strain and electric field. Our measurements reveal modulation of Berry curvature and its first moment. Notably, we provide direct experimental evidence of pseudo-electric field that results in an unusual dynamic strain-induced Hall response. This approach opens up a new pathway for controlling quantum geometry on demand, moving beyond conventional static perturbations. The pseudo-electric field provides a framework for external electric field-free anomalous Hall response and opens new avenues for probing the topological properties.

preprint2025arXiv

Odd-parity longitudinal magnetoconductivity in time-reversal symmetry broken materials

Magnetotransport measurements are a sensitive probe of symmetry and electronic structure in quantum materials. While conventional metals exhibit longitudinal magnetoconductivity that is even in a magnetic field ($B$) for small $B$, we show that magnetic materials which intrinsically break time-reversal symmetry (TRS) show an {\it odd-parity magnetoconductivity} (OMC), with a leading linear-$B$ response. Using semiclassical transport theory, we derive explicit expressions for the longitudinal and transverse conductivities and identify their origin in Berry curvature and orbital magnetic moment. Crystalline symmetry analysis shows that longitudinal OMC follows the same point-group constraints as the anomalous Hall effect, while transverse OMC obeys distinct rules, providing an independent probe of TRS breaking. In the large $B$ quantum oscillation regime, we uncover both odd- and even-$B$ contributions, demonstrating OMC beyond the semiclassical picture. Explicit calculations in valley-polarized gapped graphene show that OMC peaks near the band edges, vanish in the band gap and follow the temperature dependence of the magnetic order parameter. Our results explain the odd-parity magnetoresistance recently observed in magnetized graphene and establish OMC as a robust transport signature of intrinsic TRS breaking in metals.

preprint2022arXiv

A New Framework for Quantum Oblivious Transfer

We present a new template for building oblivious transfer from quantum information that we call the "fixed basis" framework. Our framework departs from prior work (eg., Crepeau and Kilian, FOCS '88) by fixing the correct choice of measurement basis used by each player, except for some hidden trap qubits that are intentionally measured in a conjugate basis. We instantiate this template in the quantum random oracle model (QROM) to obtain simple protocols that implement, with security against malicious adversaries: 1. Non-interactive random-input bit OT in a model where parties share EPR pairs a priori. 2. Two-round random-input bit OT without setup, obtained by showing that the protocol above remains secure even if the (potentially malicious) OT receiver sets up the EPR pairs. 3. Three-round chosen-input string OT from BB84 states without entanglement or setup. This improves upon natural variations of the CK88 template that require at least five rounds. Along the way, we develop technical tools that may be of independent interest. We prove that natural functions like XOR enable seedless randomness extraction from certain quantum sources of entropy. We also use idealized (i.e. extractable and equivocal) bit commitments, which we obtain by proving security of simple and efficient constructions in the QROM.

preprint2022arXiv

Collective plasmonic modes in the chiral multifold fermionic material CoSi

Plasmonics in topological semimetals offers exciting opportunities for fundamental physics exploration as well as for technological applications. Here, we investigate plasmons in the exemplar chiral crystal CoSi, which hosts a variety of multifold fermionic excitations. We show that CoSi hosts two distinct plasmon modes in the infrared regime at 0.1 eV and 1.1 eV in the long-wavelength limit. The 0.1 eV plasmon is found to be highly dispersive, and originates from intraband collective oscillations associated with a double spin-1 excitation, while the 1.1 eV plasmon is dispersionless and it involves interband correlations. Both plasmon modes lie outside the particle-hole continuum and possess long lifetime. Our study indicates that the CoSi class of materials will provide an interesting materials platform for exploring fundamental and technological aspects of topological plasmonics.

preprint2022arXiv

Large nonsaturating magnetoresistance, weak anti-localization and non-trivial topological states in SrAl$_2$Si$_2$

We explore the electronic and topological properties of single crystal SrAl$_2$Si$_2$ using magnetotransport experiments in conjunction with first-principle calculations. We find that the temperature-dependent resistivity shows a pronounced peak near 50 K. We observe several remarkable features at low temperatures, such as large non-saturating magnetoresistance, Shubnikov-de Haas oscillations and cusp-like magneto-conductivity. The maximum value of magnetoresistance turns out to be 459\% at 2 K and 12 T. The analysis of the cusp-like feature in magneto-conductivity indicates a clear signature of weak anti-localization. Our Hall resistivity measurements confirm the presence of two types of charge carriers in SrAl$_2$Si$_2$, with low carrier density.

preprint2022arXiv

Magnetically tunable Dirac and Weyl fermions in the Zintl materials family

Recent classification efforts encompassing crystalline symmetries have revealed rich possibilities for solid-state systems to support a tapestry of exotic topological states. However, finding materials that realize such states remains a daunting challenge. Here we show how the interplay of topology, symmetry, and magnetism combined with doping and external electric and magnetic field controls can be used to drive the previously unreported SrIn$_2$As$_2$ materials family into a variety of topological phases. Our first-principles calculations and symmetry analysis reveal that SrIn$_2$As$_2$ is a dual topological insulator with $Z_2=(1;000)$ and mirror Chern number $C_M= -1$. Its isostructural and isovalent antiferromagnetic cousin EuIn$_2$As$_2$ is found to be an axion insulator with $Z_4= 2$. The broken time-reversal symmetry via Eu doping in Sr$_{1-x}$Eu$_x$In$_2$As$_2$ results in a higher-order or topological crystalline insulator state depending on the orientation of the magnetic easy axis. We also find that antiferromagnetic EuIn$_2$P$_2$ is a trivial insulator with $Z_4= 0$, and that it undergoes a magnetic field-driven transition to an ideal Weyl fermion or nodal fermion state with $Z_4= 1$ with applied magnetic field. Our study identifies Sr$_{1-x}$Eu$_x$In$_2$(As, P)$_2$ as a new tunable materials platform for investigating the physics and applications of Weyl and nodal fermions in the scaffolding of crystalline and axion insulator states.

preprint2022arXiv

Nonlinear magnetoconductivity in Weyl and multi-Weyl semimetal in quantizing magnetic field

Magnetotransport and magneto-optics experiments offer a very powerful probe for studying the physical properties of materials. Here, we investigate the second-order nonlinear magnetoconductivity of tilted type-I Weyl and multi-Weyl semimetal. In contrast to the presence of chiral anomaly in the linear response regime, we show that Weyl semimetal do not host chiral charge pumping in the nonlinear transport regime. We predict that an inversion symmetry broken and tilted Weyl semimetal can support finite longitudinal nonlinear magnetoconductivity, which is otherwise absent in untilted Weyl semimetal. The nonlinear magnetoconductivity vanishes in the ultra-quantum limit, oscillates in the intermediate magnetic field regime and saturates in the semiclassical limit. The nonlinear magnetoconductivity depends intricately on the tilt orientation, and it can be used to determine the tilt orientation in Weyl and multi-Weyl semimetals, via nonlinear magnetoresistivity or second harmonic generation experiments.

preprint2022arXiv

Strain-tunable in-plane ferroelectricity and lateral tunnel junction in monolayer group-IV monochalcogenides

2D Ferroelectric materials are promising for designing low-dimensional memory devices. Here, we explore strain tunable ferroelectric properties of group-IV monochalcogenides MX (M=Ge, Sn; X=S, Se) and their potential application in lateral field tunnel junction devices. We find that these monolayers have in-plane ferroelectricity, with their ferroelectric parameters being on par with other known 2D ferroelectric materials. Amongst SnSe, SnS, GeSe, and GeS, we find that GeS has the best ferroelectric parameters for device applications, which can be improved further by applying uniaxial tensile strain. We use the calculated ferroelectric properties of these materials to study the tunneling electroresistance (TER) of a 4 nm device based on lateral ferroelectric tunnel junction. We find a substantial TER ratio $10^3-10^5$ in the devices based on these materials, which can be further improved up to a factor of 40 on the application of tensile strain.

preprint2022arXiv

Strongly bound excitons in monolayer MoSi$_2$Z$_4$ (Z = pnictogen)

Reduced dielectric screening in two-dimensional materials enables bound excitons, which modifies their optical absorption and optoelectronic response even at room temperature. Here, we demonstrate the existence of excitons in the bandgap of the monolayer family of the newly discovered synthetic MoSi$_2$Z$_4$ (Z = N, P, and As) series of materials. All three monolayers support several bright and strongly bound excitons with binding energies varying from 1 eV to 1.35 eV for the lowest energy exciton resonances. On increasing the pump fluence, the exciton binding energies get renormalized, leading to a redshift-blueshift crossover. Our study shows that the MoSi$_2$Z$_4$ series of monolayers offer an exciting test-bed for exploring the physics of strongly bound excitons and their non-equilibrium dynamics.

preprint2022arXiv

Topological states in superlattices of HgTe-class materials for engineering three-dimensional flat bands

In search of materials with three-dimensional flat band dispersions, using {\em ab-initio} computations, we investigate how topological phases evolve as a function of hydrostatic pressure and uniaxial strain in two types of superlattices: HgTe/CdTe and HgTe/HgSe. In short-period HgTe/CdTe superlattices, our analysis unveils the presence of isoenergetic nodal lines, which could host strain-induced three-dimensional flat bands at the Fermi level without requiring doping, when fabricated, for instance, as core-shell nanowires. In contrast, HgTe/HgSe short-period superlattices are found to harbor a rich phase diagram with a plethora of topological phases. Notably, the unstrained superlattice realizes an ideal Weyl semimetal with Weyl points situated at the Fermi level. A small-gap topological insulator with multiple band inversions can be obtained by tuning the volume: under compressive uniaxial strain, the material transitions sequentially into a Dirac semimetal to a nodal-line semimetal, and finally into a topological insulator with a single band inversion.

preprint2022arXiv

Two-dimensional MoSi2N4: An Excellent 2D Semiconductor for Transistors

We report the performance of field-effect transistors (FETs), comprised of mono-layer of recently synthesized layered two-dimensional MoSi2N_4 as channel material, using the first principles quantum transport simulations. The devices' performance is assessed as per the International Roadmap for Devices and Systems (IRDS) 2020 roadmap for the year 2034 and compared to advanced silicon-based FETs, carbon nanotube-based FETs, and other promising two-dimensional materials based FETs. Finally, we estimate the figure of merits of a combinational and a sequential logic circuit based on our double gate devices and benchmark against promising alternative logic technologies. The performance of our devices and circuits based on them are encouraging, and competitive to other logic alternatives.

preprint2021arXiv

Berry curvature induced nonlinear magnetoresistivity in two dimensional systems

The band geometric properties of quantum materials play an elemental role in the linear and nonlinear transport of electrons. In this paper, we propose that the interplay of the Berry curvature, the orbital magnetic moment and the Lorentz force can induce a finite nonlinear resistivity in two dimensional systems in presence of a perpendicular magnetic field. The induced nonlinear magnetoresistivity scales linearly with the magnetic field and is purely quantum mechanical in origin. This novel transport signature can be used as an additional experimental probe for the geometric quantities in intrinsically time reversal symmetric systems.

preprint2021arXiv

Observation of Dynamic Screening in the Excited Exciton States in Multi-layered MoS$_2$

Excitonic resonance and binding energies can be altered by controlling the environmental screening of the attractive Coulomb potential. Although this screening response is often assumed to be static, the time evolution of the excitonic quasiparticles manifests a frequency-dependence in its Coulomb screening efficacy. In this letter, we investigate a ground (1s) and first excited exciton state (2s) in a multi-layered transition metal dichalcogenide (MoS$_2$) upon ultrafast photo-excitation. We explore the dynamic screening effects on the latter and show its resonance frequency is the relevant frequency at which screening from the smaller-sized 1s counterparts is effective. Our finding sheds light on new avenues of external tuning on excitonic properties.

preprint2020arXiv

Chiral anomalies induced transport in Weyl semimetals in quantizing magnetic field

Weyl semimetals host relativistic chiral quasiparticles, which display quantum anomalies in the presence of external electromagnetic fields. Here, we study the manifestations of chiral anomalies in the longitudinal and planar magneto-transport coefficients of Weyl semimetals, in the presence of a quantizing magnetic field. We present a general framework for calculating all the transport coefficients in the regime where multiple Landau levels are occupied. We explicitly show that all the longitudinal and planar transport coefficients show Shubnikov-de Haas like quantum oscillations which are periodic in 1/B. Our calculations recover the quadratic-B dependence in the semiclassical regime, and predict a linear-B dependence in the ultra-quantum limit for all the transport coefficients.

preprint2020arXiv

K$_2$CoS$_2$: A new two-dimensional in-plane antiferromagnetic insulator

The recent discovery of two-dimensional (2D) magnetic materials has brought magnetism to the flatland. This has opened up exciting opportunities for the exploration of fundamental physics as well as for novel device applications. Here, we predict a new thermodynamically stable 2D magnetic material, K$_2$CoS$_2$, which retains its in-plane anti-ferromagnetic order down to the monolayer and bilayer limits. We find that the magnetic moments ($2.5 μ_B/$Co) are aligned along the intra-Co chains, from monolayer to bulk. The non-magnetic electronic spectrum of both the monolayer and bilayer films is found to host flat bands and van-Hove singularities, which in instrumental in giving rise to the the magnetic ground state. Based on classical Monte-Carlo simulations, we estimate the Neel temperature for the antiferromagnetic monolayer to be $\approx 15$K. Our study thus establishes that K$_2$CoS$_2$ hosts a robust antiferromagnetic state which persists from the monolayer limit to the bulk material.

preprint2020arXiv

Magnetic field-dependent resistance crossover and logarithmic to non-saturating magnetoresistance in topological insulator Bi$_2$Te$_3$

We report a metal-insulator like transition in single crystalline 3D topological insulator Bi2Te3 at a temperature of 230K in presence of an external magnetic field applied normal to the surface. This transition becomes more prominent at larger magnetic field strength with the residual resistance value increasing linearly with the magnetic field. At low temperature, the magnetic field dependence of the magnetoresistance shows a transition from logarithmic to linear behavior and the onset magnetic field value for this transition decreases with increasing temperature. The logarithmic magnetoresistance indicates the weak anti-localization of the surface Dirac electrons while the high temperature behavior originates from the bulk carriers due to intrinsic impurities. At even higher temperatures beyond~230 K, a completely classical Lorentz model type quadratic behavior of the magnetoresistance is observed. We also show that the experimentally observed anomalies at ~230K in the magneto-transport properties do not originate from any stacking fault in Bi2Te3.

preprint2020arXiv

Magnetotransport properties of the topological nodal-line semimetal CaCdSn

Topological nodal-line semimetals support protected band crossings which form nodal lines or nodal loops between the valence and conduction bands and exhibit novel transport phenomena. Here we address the topological state of the nodal-line semimetal candidate material, CaCdSn, and report magnetotransport properties of its single crystals grown by the self-flux method. Our first-principles calculations show that the electronic structure of CaCdSn harbors a single nodal loop around the $Γ$ point in the absence of spin-orbit coupling (SOC) effects. The nodal crossings in CaCdSn are found to lie above the Fermi level and yield a Fermi surface that consists of both electron and hole pockets. CaCdSn exhibits high mobility ($μ\approx 3.44\times 10^4$ cm$^2$V$^{-1}$s$^{-1}$) and displays a field-induced metal-semiconductor like crossover with a plateau in resistivity at low temperature. We observe an extremely large and quasilinear non-saturating transverse as well as longitudinal magnetoresistance (MR) at low temperatures ($\approx 7.44\times 10^3 \%$ and $\approx 1.71\times 10^3\%$, respectively, at 4K). We also briefly discuss possible reasons behind such a large quasilinear magnetoresistance and its connection with the nontrivial band structure of CaCdSn.

preprint2020arXiv

Observation of gapped state in rare-earth monopnictide HoSb

The rare-earth monopnictide family is attracting an intense current interest driven by its unusual extreme magnetoresistance (XMR) property and the potential presence of topologically non-trivial surface states. The experimental observation of non-trivial surface states in this family of materials are not ubiquitous. Here, using high-resolution angle-resolved photoemission spectroscopy (ARPES), magnetotransport, and parallel first-principles modeling, we examine the nature of electronic states in HoSb. Although we find the presence of bulk band gaps at the G and X-symmetry points of the Brillouin zone (BZ), we do not find these gaps to exhibit band inversion so that HoSb does not host a Dirac semimetal state. Our magnetotransport measurements indicate that HoSb can be characterized as a correlated nearly-complete electron-hole-compensated semimetal. Our analysis reveals that the nearly perfect electron-hole compensation could drive the appearance of non-saturating XMR effect in HoSb.

preprint2020arXiv

Saddle-point von Hove singularity and dual topological insulator state in Pt$_2$HgSe$_3$

Saddle-point van Hove singularities in the topological surface states are interesting because they can provide a new pathway for accessing exotic correlated phenomena in topological materials. Here, based on first-principles calculations combined with a $\mathbf {k \cdot p}$ model Hamiltonian analysis, we show that the layered platinum mineral jacutingaite (Pt$_2$HgSe$_3$) harbours saddle-like topological surface states with associated van Hove singularities. Pt$_2$HgSe$_3$ is shown to host two distinct types of nodal lines without spin-orbit coupling (SOC) which are protected by combined inversion ($I$) and time-reversal ($T$) symmetries. Switching on the SOC gaps out the nodal lines and drives the system into a topological insulator state with nonzero weak topological invariant $Z_2=(0;001)$ and mirror Chern number $n_M=2$. Surface states on the naturally cleaved (001) surface are found to be nontrivial with a unique saddle-like energy dispersion with type II van Hove singularities. We also discuss how modulating the crystal structure can drive Pt$_2$HgSe$_3$ into a Dirac semimetal state with a pair of Dirac points. Our results indicate that Pt$_2$HgSe$_3$ is an ideal candidate material for exploring the properties of topological insulators with saddle-like surface states.

preprint2020arXiv

Topological Dirac Semimetal Phase in Bismuth Based Anode Materials for Sodium-Ion Batteries

Bismuth has recently attracted interest in connection with Na-ion battery anodes due to its high volumetric capacity. It reacts with Na to form Na$_3$Bi which is a prototypical Dirac semimetal with a nontrivial electronic structure. Density-functional-theory based first-principles calculations are playing a key role in understanding the fascinating electronic structure of Na$_3$Bi and other topological materials. In particular, the strongly-constrained-and-appropriately-normed (SCAN) meta-generalized-gradient-approximation (meta-GGA) has shown significant improvement over the widely used generalized-gradient-approximation (GGA) scheme in capturing energetic, structural, and electronic properties of many classes of materials. Here, we discuss the electronic structure of Na$_3$Bi within the SCAN framework and show that the resulting Fermi velocities and {\it s}-band shift around the $Γ$ point are in better agreement with experiments than the corresponding GGA predictions. SCAN yields a purely spin-orbit-coupling (SOC) driven Dirac semimetal state in Na$_3$Bi in contrast with the earlier GGA results. Our analysis reveals the presence of a topological phase transition from the Dirac semimetal to a trivial band insulator phase in Na$_{3}$Bi$_{x}$Sb$_{1-x}$ alloys as the strength of the SOC varies with Sb content, and gives insight into the role of the SOC in modulating conduction properties of Na$_3$Bi.

preprint2019arXiv

A novel undamped gapless plasmon mode in tilted type-II Dirac semimetal

We predict the existence of a novel long-lived gapless plasmon mode in a type-II Dirac semimetal (DSM). This gapless mode arises from the out-of-phase oscillations of the density fluctuations in the electron and the hole pockets of a type-II DSM. It originates beyond a critical wave-vector along the direction of the tilt axis, owing to the momentum separation of the electron and hole pockets. A similar out-of-phase plasmon mode arises in other multi-component charged fluids as well, but generally it is Landau damped and lies within the particle-hole continuum. In the case of a type-II DSM, the open Fermi surface prohibits low-energy finite momentum single-particle excitations, creating a `gap' in the particle-hole continuum. The gapless plasmon mode lies within this particle-hole continuum gap and, thus, it is protected from Landau damping.

preprint2019arXiv

Thermal and gravitational chiral anomaly induced magneto-transport in Weyl semimetals

Quantum anomalies in Weyl semimetal (for either ${\bf E}\cdot{\bf B} \neq 0$ or ${\bf \nabla}T\cdot{\bf B} \neq 0$) leads to chiral charge and energy pumping between the opposite chirality nodes. This results in chiral charge and energy imbalance between the Weyl nodes which manifests in several intriguing magneto-transport phenomena. Here, we investigate the role of electrical-, thermal-, and gravitational chiral anomaly on magneto-transport in Weyl semimetals. We predict the planar Ettinghausen and Righi-Leduc effect to be a distinct signature of these quantum anomalies. We also demonstrate a significant enhancement in the thermo-electric conductivity, Seebeck effect, Nernst effect and thermal conductivity with increasing temperature. Interestingly, this anomaly induced transport violates the Wiedemann-Franz law and Mott relation.

preprint2016arXiv

Electric-field tunable Dirac semimetal state in phosphorene thin films

We study the electric-field tunable electronic properties of phosphorene thin films, using the framework of density functional theory. We show that phosphorene thin films offer a versatile material platform to study two dimensional Dirac fermions on application of a transverse electric field. Increasing the strength of the transverse electric field beyond a certain critical value in phosphorene leads to the formation of two symmetry protected gapless Dirac fermions states with anisotropic energy dispersion. The spin-orbit coupling splits each of these Dirac state into two spin- polarized Dirac cones which are also protected by non-symmorphic crystal symmetries. Our study shows that the position as well as the carrier velocity of the spin polarized Dirac cone states can be controlled by the strength of the external electric field.

preprint2016arXiv

Four allotropes of semiconducting layered Arsenic which switch into a topological insulator via an electric field: A computational study

We propose four different thermodynamically stable structural phases of arsenic monolayers based on ab-initio density functional theory calculations all of which undergo a topological phase transition on application of a perpendicular electric field. All the four arsenic monolayer allotropes have a wide band gap, varying from 1.21 eV to 3.0 eV (based on GW calculations), and in general they undergo a metal-insulator quantum phase transition on application of uniaxial in-layer strain. Additionally an increasing transverse electric field induces band-inversion at the Γ point in all four monolayer allotropes, leading to a nontrivial topological phase (insulating for three and metallic for one allotrope), characterized by the switching of the Z2 index, from 0 (before band inversion) to 1 (after band inversion). The topological phase tuned by the transverse electric field, should support spin-separated gapless edge states which should manifest in quantum spin Hall effect.

preprint2016arXiv

Impact of Underlaid Multi-antenna D2D on Cellular Downlink in Massive MIMO Systems

In this paper, we consider a massive multiple-input multiple-output (MIMO) downlink system underlaid with a network of multi-antenna D2D user equipments (UEs). Each D2D transmitter (Tx) uses all its antennas to beamform information towards its desired D2D receiver, which uses only a single antenna for reception. While beamforming at the D2D Tx reduces D2D interference to the neighbouring cellular UEs (CUEs), the cellular-to-D2D interference is also negligible due to highly directional beamforming at the massive MIMO base station. For the above proposed system, we analyze the average per-user spectral efficiency (SE) of CUEs ($R^{c,d}$) as a function of the D2D area spectral efficiency (ASE). Our analysis reveals that for a fixed D2D ASE ($R_0^{(d)}$) and fixed number of D2D antennas ($N$), with increasing density of D2D Txs ($λ$), $R^{c,d}$ increases (for sufficiently large $λ$) and approaches a fundamental limit $R_{\infty}^{c,d}$ as $λ\to \infty$. Also, $R_{\infty}^{c,d}$ depends on $R_{0}^{(d)}$ and $N$, only through the ratio $\frac{R_{0}^{(d)}}{N-1}$, i.e, for a given fundamental limit $R_{\infty}^{c,d}$, the D2D ASE can be approximately doubled with every doubling in $N$.

preprint2016arXiv

New ground states of fluorinated and oxidized phosphorene: structural and electronic properties

We systematically explore chemical functionalization of monolayer black phosphorene via chemisorption of oxygen and fluorine atoms. Using the cluster expansion technique, with vary- ing concentration of the adsorbate, we determine the ground states considering both single- as well as double- side chemisorption, which have novel chemical and electronic properties. The nature of the bandgap depends on the concentration of the adsorbate: for fluorination the direct bandgap first decreases, and then increases while becoming indirect, with increasing fluorination, while for oxidation the bandgap first increases and then decreases, while mostly maintaining its direct nature. Further we find that the unique anisotropic free-carrier effective mass for both the electrons and holes, can be changed and even rotated by 90 degrees, with controlled chemisorption, which can be useful for exploring unusual quantum Hall effect, and novel electronic devices based on phosphorene.

preprint2016arXiv

Thickness and electric field dependent polarizability and dielectric constant in phosphorene

Based on extensive first principle calculations, we explore the thickness dependent effective di- electric constant and slab polarizability of few layer black phosphorene. We find that the dielectric constant in ultra-thin phosphorene is thickness dependent and it can be further tuned by applying an out of plane electric field. The decreasing dielectric constant with reducing number of layers of phosphorene, is a direct consequence of the lower permittivity of the surface layers and the in- creasing surface to volume ratio. We also show that the slab polarizability depends linearly on the number of layers, implying a nearly constant polarizability per phosphorus atom. Our calculation of the thickness and electric field dependent dielectric properties will be useful for designing and interpreting transport experiments in gated phosphorene devices, wherever electrostatic effects such as capacitance, charge screening etc. are important.

preprint2015arXiv

Casimir effect for a Bose-Einstein condensate inside a cylindrical tube

We explore Casimir effect on an interacting Bose-Einstein condensate (BEC) inside a cylindrical tube. The Casimir force for the confined BEC comprises of (i) a mean-field part arising from the spatial inhomogeneity of the condensate order parameter, and (ii) a quantum fluctuation part arising from the confinement of Bogoliubov excitations in the condensate. Our analytical result predicts Casimir force on a cylindrical shallow of $^4$He well below the $λ$-point, and can be tested experimentally.

preprint2015arXiv

Effective Doping of Monolayer Phosphorene by Surface Adsorption of Atoms for Electronic and Spintronic Applications

We study the effect of surface adsorption of 27 different adatoms on the electronic and magnetic properties of monolayer black phosphorus using density functional theory. Choosing a few representative elements from each group, ranging from alkali metals (group I) to halogens (group VII), we calculate the band structure, density of states, magnetic moment and effective mass for the energetically most stable location of the adatom on monolayer phosphorene. We predict that group I metals (Li, Na, K), and group III adatoms (Al, Ga, In) are effective in enhancing the n-type mobile carrier density, with group III adatoms resulting in lower effective mass of the electrons, and thus higher mobilities. Furthermore we find that the adatoms of transition metals Ti and Fe, produce a finite magnetic moment (1.87 and 2.31 $μ_B$) in monolayer phosphorene, with different band gap and electronic effective masses (and thus mobilities), which approximately differ by a factor of 10 for spin up and spin down electrons opening up the possibility for exploring spintronic applications.

preprint2015arXiv

Electric field induced gap modification in ultrathin blue phosphorous

We investigate the possibility of band structure engineering in the recently predicted 2D layered form of blue phosphorus via an electric field (E$_z$) applied perpendicular to the layer(s). Using density functional theory, we study the effect of a transverse electric field in monolayer, as well as three differently stacked bilayer structures of blue phosphorus. We find that, for E$_z > 0.2$ V/Å the direct energy gap at the $Γ$ point, which is much larger than the default indirect band gap of mono- and bilayer blue phosphorus, decreases linearly with the increasing electric field; becomes comparable to the default indirect band gap at E$_z \approx 0.45 (0.35)$ V/Å for monolayer (bilayers) and decreases further until the semiconductor to metal transition of 2D blue phosphorus takes place at E$_z\approx 0.7 (0.5)$ V/Å for monolayer (bilayers). Calculated values of the electron and hole effective masses along various high symmetry directions in the reciprocal lattice suggests that the mobility of charge carriers is also influenced by the applied electric field.

preprint2015arXiv

Enhancement of tunneling density of states at a Y junction of spin-1/2 Tomonaga Luttinger liquid wires

We calculate the tunneling density of states (TDOS) in a three wire junction of interacting spin-1/2 electrons, and find an anomalous enhancement of the TDOS in the zero bias limit, even for repulsive interactions for several bosonic fixed points. This enhancement is physically related to the reflection of holes from the junction for incident electrons, and it occurs only in the vicinity of the junction ($x < v_{\rm min}/2ω$ where $v_{\rm min}$ is the minimum of the velocity of charge or spin excitations and $ω$ is the bias frequency), crossing over to the bulk value which is always suppressed, at larger distances. The TDOS exponent can be directly probed in a STM experiment by measuring the differential tunneling conductance as a function of either the bias voltage or temperature as done in C. Blumenstein et al. Nature Physics 7, 776 (2011).

preprint2015arXiv

Plasmon modes of a massive Dirac plasma, and their superlattices

We explore the collective density oscillations of a collection of charged massive Dirac particles, in one, two and three dimensions and their one dimensional superlattice. We calculate the long wavelength limit of the dynamical polarization function analytically, and use the random phase approximation to obtain the plasmon dispersion. The density dependence of the long wavelength plasmon frequency in massive Dirac systems is found to be different compared to systems with parabolic, and gapless Dirac dispersion. We also calculate the long wavelength plasmon dispersion of a 1d metamaterial made from 1d and 2d massive Dirac plasma. Our analytical results will be useful for exploring the use of massive Dirac materials as electrostatically tunable plasmonic metamaterials and can be experimentally verified by infrared spectroscopy as in the case of graphene [L. Ju. et. al., Nat. Nanotechnol. 6, 630 (2011)].

preprint2015arXiv

Plasmons in spin polarized graphene: a new way to measure spin polarization

We study the collective charge excitations (plasmons) in spin polarized graphene, and derive explicit expressions for their dispersion in the undamped regime. From this, we are able to calculate the critical wave vector beyond which the plasmon enters the electron-hole continuum, its quality factor decreasing sharply. We find that the value of the critical wave vector is strongly spin polarization-dependent, in a way that has no analog in ordinary two-dimensional electron gases. The origin of this effect is in the coupling between the plasmon and the inter-band electron-hole pairs of the minority spin carriers. We show that the effect is robust with respect to the inclusion of disorder and we suggest that it can be exploited to experimentally determine the spin polarization of graphene.

preprint2014arXiv

Long-lived spin plasmons in a spin-polarized two-dimensional electron gas

Collective charge-density modes (plasmons) of the clean two-dimensional unpolarized electron gas are stable, for momentum conservation prevents them from decaying into single-particle excitations. Collective spin-density modes (spin plasmons) possess no similar protection and rapidly decay by production of electron-hole pairs. Nevertheless, if the electron gas has a sufficiently high degree of spin polarization ($P>1/7$, where $P$ is the ratio of the equilibrium spin density and the total electron density, for a parabolic single-particle spectrum) we find that a long-lived spin-plasmon---a collective mode in which the densities of up and down spins oscillate with opposite phases---can exist within a "pseudo gap" of the single-particle excitation spectrum. The ensuing collectivization of the spin excitation spectrum is quite remarkable and should be directly visible in Raman scattering experiments. The predicted mode could dramatically improve the efficiency of coupling between spin-wave-generating devices, such as spin-torque oscillators.

preprint2014arXiv

Time resolved transport properties of a $Y$-junction of Tomonaga-Luttinger liquids

We study time resolved transport properties of a $Y$-junction composed of interacting one-dimensional quantum wires using a bosonization approach. In particular, we investigate the AC conductivity of the $Y$-junction formed from finite length Tomonaga-Luttinger liquid wires based on a plasmon scattering approach for injected charge pulses of arbitrary shapes. In addition, we calculate the tunneling current and quantum noise of the $Y$-junction arising from point-like tunneling impurities at the junction, including finite temperature effects. Our results will be useful for designing nano-electronic quantum circuits, and for interpreting time-resolved experiments [H. Kamata et. al. in Nat. Nanotechnol. 9, 177 (2014)] in interacting wires and their junctions.

preprint2014arXiv

Wave packet dynamics in monolayer MoS$_2$ with and without a magnetic field

We study the dynamics of electrons in monolayer Molybdenum Disulfide (MoS$_2$), in the absence as well as presence of a transverse magnetic field. Considering the initial electronic wave function to be a Gaussian wave packet, we calculate the time dependent expectation value of position and velocity operators. In the absence of the magnetic field, the time dependent average values of position and velocity show damped oscillations dependent on the width of the wave packet. In the presence of a transverse magnetic field, the wave packet amplitude shows oscillatory behaviour over short timescales associated with classical cyclotron orbit, followed by the phenomena of spontaneous collapse and revival over larger timescales. We relate the timescales of these effects and our results can be useful for the interpretation of experiments with trapped ions.

preprint2014arXiv

Wave packet dynamics in various two-dimensional systems: a unified description

In this article we present an exact and unified description of wave-packet dynamics in various 2D systems in presence of a transverse magnetic field. We consider an initial minimum-uncertainty Gaussian wave-packet, and find that its long term dynamics displays the universal phenomena of spontaneous collapse and quantum revival. We estimate the timescales associated with these phenomena based on very general arguments for various materials, whose carrier dynamics is described either by the Schrödinger equation or by the Dirac equation.

preprint2011arXiv

Persistent spin oscillations in a spin-orbit-coupled superconductor

Quasi-two-dimensional superconductors with tunable spin-orbit coupling are very interesting systems with properties that are also potentially useful for applications. In this manuscript we demonstrate that these systems exhibit undamped collective spin oscillations that can be excited by the application of a supercurrent. We propose to use these collective excitations to realize persistent spin oscillators operating in the frequency range of 10 GHz - 1 THz.

preprint2010arXiv

Plasmon mass and Drude weight in strongly spin-orbit-coupled 2D electron gases

Spin-orbit-coupled two-dimensional electron gases (2DEGs) are a textbook example of helical Fermi liquids, i.e. quantum liquids in which spin (or pseudospin) and momentum degrees-of-freedom at the Fermi surface have a well-defined correlation. Here we study the long-wavelength plasmon dispersion and the Drude weight of archetypical spin-orbit-coupled 2DEGs. We first show that these measurable quantities are sensitive to electron-electron interactions due to broken Galileian invariance and then discuss in detail why the popular random phase approximation is not capable of describing the collective dynamics of these systems even at very long wavelengths. This work is focussed on presenting approximate microscopic calculations of these quantities based on the minimal theoretical scheme that captures the basic physics correctly, i.e. the time-dependent Hartree-Fock approximation. We find that interactions enhance the "plasmon mass" and suppress the Drude weight. Our findings can be tested by inelastic light scattering, electron energy loss, and far-infrared optical-absorption measurements.

preprint2010arXiv

Power dissipation for systems with junctions of multiple quantum wires

We study power dissipation for systems of multiple quantum wires meeting at a junction, in terms of a current splitting matrix (M) describing the junction. We present a unified framework for studying dissipation for wires with either interacting electrons (i.e., Tomonaga-Luttinger liquid wires with Fermi liquid leads) or non-interacting electrons. We show that for a given matrix M, the eigenvalues of M^T M characterize the dissipation, and the eigenvectors identify the combinations of bias voltages which need to be applied to the different wires in order to maximize the dissipation associated with the junction. We use our analysis to propose and study some microscopic models of a dissipative junction which employ the edge states of a quantum Hall liquid. These models realize some specific forms of the M-matrix whose entries depends on the tunneling amplitudes between the different edges.

preprint2009arXiv

AC conductivity of a quantum Hall line junction

We present a microscopic model for calculating the AC conductivity of a finite length line junction made up of two counter or co-propagating single mode quantum Hall edges with possibly different filling fractions. The effect of density-density interactions and the tunneling conductance (σ), between the two edges, is considered, and exact expressions are derived for the AC conductivity as a function of the frequency (ω), the length of the line junction and other parameters of the system. We reproduce the results of Phys. Rev. B 78, 085430 (2008) in the DC limit (ω\to 0), and generalize those results for an interacting system. As a function of ω, the AC conductivity shows significant oscillations if σis small; the oscillations become less prominent as σincreases. A renormalization group analysis shows that the system may be in a metallic or an insulating phase depending on the strength of the interactions. We discuss the experimental implications of this for the behavior of the AC conductivity at low temperatures.

preprint2009arXiv

Enhancement of tunneling density of states at a junction of three Luttinger liquid wires

We study the tunneling density of states (TDOS) for a junction of three Tomonaga-Luttinger liquid wires. We show that there are fixed points which allow for the enhancement of the TDOS, which is unusual for Luttinger liquids. The distance from the junction over which this enhancement occurs is of the order of x = v/(2 ω), where v is the plasmon velocity and ωis the bias frequency. Beyond this distance, the TDOS crosses over to the standard bulk value independent of the fixed point describing the junction. This finite range of distances opens up the possibility of experimentally probing the enhancement in each wire individually.

preprint2007arXiv

Equation of motion approach to non-adiabatic quantum charge pumping

We use the equations of motion of non-interacting electrons in a one-dimensional system to numerically study different aspects of charge pumping. We study the effects of the pumping frequency, amplitude, band filling and finite bias on the charge pumped per cycle, and the Fourier transforms of the charge and energy currents in the leads. Our method works for all values of parameters, and gives the complete time-dependences of the current and charge at any site of the system. Our results agree with Floquet and adiabatic scattering theory where these are applicable, and provides support for a mechanism proposed elsewhere for charge pumping by a traveling potential wave. For non-adiabatic and strong pumping, the charge and energy currents are found to have a marked asymmetry between the two leads, and pumping can work even against a substantial bias.