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24 featured work(s)

preprint2016arXiv

The effect of in-plane magnetic field and applied strain in quantum spin Hall systems: application to InAs/GaSb quantum wells

Motivated by the recent discovery of quantized spin Hall effect in InAs/GaSb quantum wells\cite{du2013}$^,$\cite{xu2014}, we theoretically study the effects of in-plane magnetic field and strain effect to the quantization of charge conductance by using Landauer-Butikker formalism. Our theory predicts a robustness of the conductance quantization against the magnetic field up to a very high field of 20 tesla. We use a disordered hopping term to model the strain and show that the strain may help the quantization of the conductance. Relevance to the experiments will be discussed.

preprint2015arXiv

Microwave quantum optics as a direct probe of the Overhauser field in a quantum-dot CQED device

We show theoretically that a quantum-dot circuit quantum electrodynamics (CQED) device can be used as a probe of the Overhauser field in quantum dots. By coupling a transmission line to the interdot tunneling gate, an electromagnetically-induced-transparency (EIT) scheme can be established, whose Fano-type interference leads to a sharp curvature in the reflection spectrum around resonance. This sharp feature persists even in the presence of the fluctuating spin bath, rendering a high-resolution method to extract the bath's statistical information. For strong nuclear spin fields, the reflection spectrum exhibits an Autler-Townes splitting, where the peak locations indicate the strengths of the Overhauser field gradient (OFG).

preprint2015arXiv

Tunable Hybridization Between Electronic States of Graphene and Physisorbed Hexacene

Non-covalent functionalization via physisorption of organic molecules provides a scalable approach for modifying the electronic structure of graphene while preserving its excellent carrier mobilities. Here we investigated the physisorption of long-chain acenes, namely, hexacene and its fluorinated derivative perfluorohexacene, on bilayer graphene for tunable graphene devices using first principles methods. We find that the adsorption of these molecules leads to the formation of localized states in the electronic structure of graphene close to its Fermi level, which could be readily tuned by an external electric field. The electric field not only creates a variable band gap as large as 250 meV in bilayer graphene, but also strongly influences the charge redistribution within the molecule-graphene system. This charge redistribution is found to be weak enough not to induce strong surface doping, but strong enough to help preserve the electronic states near the Dirac point of graphene.

preprint1999arXiv

Charge Relaxation Resistances and Charge Fluctuations in Mesoscopic Conductors

A brief overview is presented of recent work which investigates the time-dependent relaxation of charge and its spontaneous fluctuations on mesoscopic conductors in the proximity of gates. The leading terms of the low frequency conductance are determined by a capacitive or inductive emittance and a dissipative charge relaxation resistance. The charge relaxation resistance is determined by the ratio of the mean square dwell time of the carriers in the conductor and the square of the mean dwell time. The contribution of each scattering channel is proportional to half a resistance quantum. We discuss the charge relaxation resistance for mesoscopic capacitors, quantum point contacts, chaotic cavities, ballistic wires and for transport along edge channels in the quantized Hall regime. At equilibrium the charge relaxation resistance also determines via the fluctuation-dissipation theorem the spontaneous fluctuations of charge on the conductor. Of particular interest are the charge fluctuations in the presence of transport in a regime where the conductor exhibits shot noise. At low frequencies and voltages charge relaxation is determined by a nonequilibrium charge relaxation resistance.

preprint2014arXiv

The role of electron localization in density functionals

We introduce a new functional for simulating ground-state and time-dependent electronic systems within density-functional theory. The functional combines an expression for the exact Kohn-Sham (KS) potential in the limit of complete electron localization with a measure of the actual localization. We find accurate self-consistent charge densities, even for systems where the exact exchange-correlation potential exhibits non-local dependence on the density, such as potential steps. We compare our results to the exact KS potential for each system. The self-interaction correction is accurately described, avoiding the need for orbital-dependent potentials.

preprint2014arXiv

Adiabatic and local approximations for the Kohn-Sham potential in time-dependent Hubbard chains

We obtain the exact Kohn-Sham potentials $V_{\mathrm{KS}}$ of time-dependent density-functional theory for 1D Hubbard chains, driven by a d.c.\ external field, using the time-dependent electron density and current density obtained from exact many-body time-evolution. The exact $V_{\mathrm{xc}}$ is compared to the adiabatically-exact $V_{\mathrm{xc}}^{\mathrm{ad}}$ and the "instantaneous ground state" $V_{\mathrm{xc}}^{\mathrm{igs}}$. The latter is shown to work effectively in some cases when the former fails. Approximations for the exchange-correlation potential $V_{\mathrm{xc}}$ and its gradient, based on the local density and on the local current density, are also considered and both physical quantities are observed to be far outside the reach of any possible local approximation. Insight into the respective roles of ground-state and excited-state correlation in the time-dependent system, as reflected in the potentials, is provided by the pair correlation function.

preprint2015arXiv

Multiport Impedance Quantization

With the increase of complexity and coherence of superconducting systems made using the principles of circuit quantum electrodynamics, more accurate methods are needed for the characterization, analysis and optimization of these quantum processors. Here we introduce a new method of modelling that can be applied to superconducting structures involving multiple Josephson junctions, high-Q superconducting cavities, external ports, and voltage sources. Our technique, an extension of our previous work on single-port structures [1], permits the derivation of system Hamiltonians that are capable of representing every feature of the physical system over a wide frequency band and the computation of T1 times for qubits. We begin with a black box model of the linear and passive part of the system. Its response is given by its multiport impedance function Zsim(w), which can be obtained using a finite-element electormagnetics simulator. The ports of this black box are defined by the terminal pairs of Josephson junctions, voltage sources, and 50 Ohm connectors to high-frequency lines. We fit Zsim(w) to a positive-real (PR) multiport impedance matrix Z(s), a function of the complex Laplace variable s. We then use state-space techniques to synthesize a finite electric circuit admitting exactly the same impedance Z(s) across its ports; the PR property ensures the existence of this finite physical circuit. We compare the performance of state-space algorithms to classical frequency domain methods, justifying their superiority in numerical stability. The Hamiltonian of the multiport model circuit is obtained by using existing lumped element circuit quantization formalisms [2, 3]. Due to the presence of ideal transformers in the model circuit, these quantization methods must be extended, requiring the introduction of an extension of the Kirchhoff voltage and current laws.

preprint2012arXiv

Readout of superconducting flux qubit state with a Cooper pair box

We study a readout scheme of superconducting flux qubit state with a Cooper pair box as a transmon. The qubit states consist of the superpositions of two degenerate states where the charge and phase degrees of freedom are entangled. Owing to the robustness of transmon against external fluctuations, our readout scheme enables the quantum non-demolition and single-shot measurement of flux qubit states. The qubit state readout can be performed by using the non-linear Josephson amplifiers after a $π/2$-rotation driven by an ac-electric field.

preprint2015arXiv

Quantum breaking of ergodicity in semi-classical charge transfer dynamics

Does electron transfer (ET) kinetics within a single-electron trajectory description always coincide with the ensemble description? This fundamental question of ergodic behavior is scrutinized within a very basic semi-classical curve-crossing problem of quantum Landau-Zener tunneling between two electronic states with overdamped classical reaction coordinate. It is shown that in the limit of non-adiabatic electron transfer (weak tunneling) well-described by the Marcus-Levich-Dogonadze (MLD) rate the answer is yes. However, in the limit of the so-called solvent-controlled adiabatic electron transfer a profound breaking of ergodicity occurs. The ensemble survival probability remains nearly exponential with the inverse rate given by the sum of the adiabatic curve crossing (Kramers) time and inverse MLD rate. However, near to adiabatic regime, the single-electron survival probability is clearly non-exponential but possesses an exponential tail which agrees well with the ensemble description. Paradoxically, the mean transfer time in this classical on the ensemble level regime is well described by the inverse of nonadiabatic quantum tunneling rate on a single particle level.

preprint2016arXiv

Monolayer MoS2/GaAs heterostructure self-driven photodetector with extremely high detectivity

Two dimensional material/semiconductor heterostructures offer alternative platforms for optoelectronic devices other than conventional Schottky and p-n junction devices. Herein, we use MoS2/GaAs heterojunction as a self-driven photodetector with wide response band width from ultraviolet to visible light, which exhibits high sensitivity to the incident light of 635 nm with responsivity as 446 mA/W and detectivity as 5.9*10^13 Jones (Jones = cm Hz1/2 W-1), respectively. Employing interface design by inserting h-BN and photo-induced doping by covering Si quantum dots on the device, the responsivity is increased to 419 mA/W for incident light of 635 nm. Distinctly, attributing to the low dark current of the MoS2/h-BN/GaAs sandwich structure based on the self-driven operation condition, the detectivity shows extremely high value of 1.9*10^14 Jones for incident light of 635 nm, which is higher than all the reported values of the MoS2 based photodetectors. Further investigations reveal that the MoS2/GaAs based photodetectors have response speed with the typical rise/fall time as 17/31 μs. The photodetectors are stable while sealed with polymethyl methacrylate after storage in air for one month. These results imply that monolayer MoS2/GaAs heterojunction may have great potential for practical applications as high performance self-driven photodetectors.

preprint2016arXiv

Two coupled qubits interacting with a thermal bath: A comparative study of different models

We investigate a system of two interacting qubits having one of them isolated and the other coupled to a thermal reservoir. We consider two different models of system-reservoir interaction: i) a "microscopic" model, in which the master equation is derived taking into account the interaction between the two subsystems (qubits), ii) a naive "phenomenological" model, in which the master equation consists of a dissipative term added to the unitary evolution term. We study the dynamics of quantities such as bipartite entanglement, quantum discord and the linear entropy of the isolated qubit for both strong and weak coupling regimes (qubit-qubit interaction) as well as for different temperatures of the reservoir. We find significant disagreements between the results obtained from the two models even in the weak coupling regime. For instance, we show that according to the phenomenological model, the isolated qubit would approach a maximally mixed state more slowly for higher temperatures (unphysical result), while the microscopic model predicts the opposite behaviour (correct result).

preprint2017arXiv

An efficient tight-binding mode-space NEGF model enabling up to million atoms III-V nanowire MOSFETs and TFETs simulations

We report the capability to simulate in a quantum mechanical tight-binding (TB) atomistic fashion NW devices featuring several hundred to millions of atoms and diameter up to 18 nm. Such simulations go far beyond what is typically affordable with today's supercomputers using a traditional real space (RS) TB Hamiltonian technique. We have employed an innovative TB mode space (MS) technique instead and demonstrate large speedup (up to 10,000x) while keeping good accuracy (error smaller than 1 percent) compared to the RS NEGF method. Such technique and capability open new avenues to explore and understand the physics of nanoscale and mesoscopic devices dominated by quantum effects. In particular, our method addresses in an unprecedented way the technological relevant case of band-to-band tunneling (BTBT) in III-V nanowire MOSFETs and broken gap heterojunction tunnel-FETs (TFETs). We demonstrate an accurate match of simulated BTBT currents to experimental measurements in a [111] InAs NW having a 12 nm diameter and a 300 nm long channel. We apply the predictivity of our TB MS simulations and report an in-depth atomistic study of the scaling potential of III-V GAA nanowire heterojunction n and pTFETs quantifying the benefits of this technology for low-power, low-voltage CMOS application. At VDD = 0.3 V and IOFF = 50 pA/um, the on-current (Ion) and energy-delay product (ETP) gain over a Si NW GAA MOSFET are 58x and 56x respectively.

preprint2018arXiv

Thermal Casimir and Casimir-Polder interactions in $N$ parallel 2D Dirac materials

The Casimir and Casimir-Polder interactions are investigated in a stack of equally spaced graphene layers. The optical response of the individual graphene is taken into account using gauge invariant components of the polarization tensor extended to the whole complex frequency plane. The planar symmetry for the electromagnetic boundary conditions is further used to obtain explicit forms for the Casimir energy stored in the stack and the Casimir-Polder energy between an atom above the stack. Our calculations show that these fluctuation induced interactions experience strong thermal effects due to the graphene Dirac-like energy spectrum. The spatial dispersion and temperature dependence in the optical response are also found to be important for enhancing the interactions especially at smaller separations. Analytical expressions for low and high temperature limits and their comparison with corresponding expressions for an infinitely conducting planar stack are further used to expand our understanding of Casimir and Casimir-Polder energies in Dirac materials. Our results may be useful to experimentalists as new ways to probe thermal effects at the nanoscale in such universal interactions.

preprint2017arXiv

Observation of forbidden phonons and dark excitons by resonance Raman scattering in few-layer WS$_2$

The optical properties of the two-dimensional (2D) crystals are dominated by tightly bound electron-hole pairs (excitons) and lattice vibration modes (phonons). The exciton-phonon interaction is fundamentally important to understand the optical properties of 2D materials and thus help develop emerging 2D crystal based optoelectronic devices. Here, we presented the excitonic resonant Raman scattering (RRS) spectra of few-layer WS$_2$ excited by 11 lasers lines covered all of A, B and C exciton transition energies at different sample temperatures from 4 to 300 K. As a result, we are not only able to probe the forbidden phonon modes unobserved in ordinary Raman scattering, but also can determine the bright and dark state fine structures of 1s A exciton. In particular, we also observed the quantum interference between low-energy discrete phonon and exciton continuum under resonant excitation. Our works pave a way to understand the exciton-phonon coupling and many-body effects in 2D materials.

preprint2018arXiv

Twist Angle-Dependent Bands and Valley Inversion in 2D Materials/hBN Heterostructures

The use of relative twist angle between adjacent atomic layers in a van der Waals heterostructure, has emerged as a new degree of freedom to tune electronic and optoelectronic properties of devices based on 2D materials. Using ABA-stacked trilayer (TLG) graphene as the model system, we show that, contrary to conventional wisdom, the band structures of 2D materials are systematically tunable depending on their relative alignment angle between hexagonal BN (hBN), even at very large twist angles. Moreover, addition or removal of the hBN substrate results in an inversion of the K and K' valley in TLG's lowest Landau level (LL). Our work illustrates the critical role played by substrates in van der Waals heterostructures and opens the door towards band structure modification and valley control via substrate and twist angle engineering.

preprint2018arXiv

Diffuson-driven Ultralow Thermal Conductivity in Amorphous Nb2O5 Thin Films

Niobium pentoxide (Nb2O5) has been extensively reported for applications of electrochemical energy storage, memristors, solar cells, light emitting diodes (LEDs), and electrochromic devices. The thermal properties of Nb2O5 play a critical role in device performance of these applications. However, very few studies on the thermal properties of Nb2O5 have been reported and a fundamental understanding of heat transport in Nb2O5 is still lacking. The present work closes this gap and provides the first study of thermal conductivity of amorphous Nb2O5 thin films. Ultralow thermal conductivity is observed without any size effect in films as thin as 48 nm, which indicates that propagons contribute negligibly to the thermal conductivity and that the thermal transport is dominated by diffusons. Density-function-theory (DFT) simulations combined with a diffuson-mediated minimum-thermal-conductivity model confirms this finding. Additionally, the measured thermal conductivity is lower than the amorphous limit (Cahill model), which proves that the diffuson model works better than the Cahill model to describe the thermal conduction mechanism in the amorphous Nb2O5 thin films. Additionally, the thermal conductivity does not change significantly with oxygen vacancy concentration. This stable and low thermal conductivity facilitates excellent performance for applications such as memristors.

preprint2017arXiv

0-Pi quantum transition in a carbon nanotube Josephson junction: Universal phase dependence and orbital degeneracy

In a quantum dot hybrid superconducting junction, the behavior of the supercurrent is dominated by Coulomb blockade physics, which determines the magnetic state of the dot. In particular, in a single level quantum dot singly occupied, the sign of the supercurrent can be reversed, giving rise to a pi-junction. This 0-pi transition, corresponding to a singlet-doublet transition, is then driven by the gate voltage or by the superconducting phase in the case of strong competition between the superconducting proximity effect and Kondo correlations. In a two-level quantum dot, such as a clean carbon nanotube, 0-pi transitions exist as well but, because more cotunneling processes are allowed, are not necessarily associated to a magnetic state transition of the dot. In this proceeding, after a review of 0-pi transitions in Josephson junctions, we present measurements of current-phase relation in a clean carbon nanotube quantum dot, in the single and two-level regimes. In the single level regime, close to orbital degeneracy and in a regime of strong competition between local electronic correlations and superconducting proximity effect, we find that the phase diagram of the phase-dependent transition is a universal characteristic of a discontinuous level-crossing quantum transition at zero temperature. In the case where the two levels are involved, the nanotube Josephson current exhibits a continuous 0-pi transition, independent of the superconducting phase, revealing a different physical mechanism of the transition.

preprint2018arXiv

Electron localisation in static and time-dependent one-dimensional model systems

Electron localization is the tendency of an electron in a many-body system to exclude other electrons from its vicinity. Using a new natural measure of localization based on the exact manyelectron wavefunction, we find that localization can vary considerably between different ground-state systems, and can also be strongly disrupted, as a function of time, when a system is driven by an applied electric field. We use our new measure to assess the well-known electron localization function (ELF), both in its approximate single-particle form (often applied within density-functional theory) and its full many-particle form. The full ELF always gives an excellent description of localization, but the approximate ELF fails in time-dependent situations, even when the exact Kohn-Sham orbitals are employed.

preprint2017arXiv

Correlation effects in superconducting quantum dot systems

We study the effect of electron correlations on a system consisting of a single-level quantum dot with local Coulomb interaction attached to two superconducting leads. We use the single-impurity Anderson model with BCS superconducting baths to study the interplay between the proximity induced electron pairing and the local Coulomb interaction. We show how to solve the model using the continuous-time hybridization-expansion quantum Monte Carlo method. The results obtained for experimentally relevant parameters are compared with results of self-consistent second order perturbation theory as well as with the numerical renormalization group method.

preprint2017arXiv

Rheology of hydrating cement paste: crossover between two aging processes

The roles of applied strain and temperature on the hydration dynamics of cement paste are uncovered in the present study. We find that the system hardens over time through two different aging processes. The first process dominates the initial period of hydration and is characterized by the shear stress $σ$ varying sub-linearly with the strain-rate $\dotγ$; during this process the system is in a relatively low-density state and the inter-particle interactions are dominated by hydrodynamic lubrication. At a later stage of hydration the system evolves to a high-density state where the interactions become frictional, and $σ$ varies super-linearly with $\dotγ$; this is identified as the second process. An instability, indicated by a drop in $σ$, that is non-monotonic with $\dotγ$ and can be tuned by temperature, separates the two processes. Both from rheology and microscopy studies we establish that the observed instability is related to fracture mechanics of space-filling structure.

preprint2018arXiv

Geometric Effect on Quantum Anomalous Hall States in Magnetic Topological Insulators

An intriguing observation on the quantum anomalous Hall effect (QAHE) in magnetic topological insulators (MTIs) is the dissipative edge states, where quantized Hall resistance is accompanied by nonzero longitudinal resistance. We numerically investigate this dissipative behavior of QAHE in MTIs with a three-dimensional tight-binding model and non-equilibrium Greens function formalism. It is found that, in clean samples, the geometric mismatch between the detecting electrodes and the MTI sample leads to additional scattering in the central Hall bar, which is similar to the effect of splitting gates in the traditional Hall effect. As a result, while the Hall resistance remains quantized, the longitudinal resistance deviates from zero due to such additional scattering. It is also shown that external magnetic fields as well as disorder scattering can suppress the dissipation of the longitudinal resistance. These results are in good agreement with previous experimental observations and provide insight on the fabrication of QAHE devices.

preprint2017arXiv

First-principles study on the electronic and transport properties of periodically nitrogen-doped graphene and carbon nanotube superlattices

Prompted by recent reports on $\sqrt{3} \times \sqrt{3}$ graphene superlattices with intrinsic inter-valley interactions, we perform first-principles calculations to investigate the electronic properties of periodically nitrogen-doped graphene and carbon nanotube nanostructures. In these structures, nitrogen atoms substitute one-sixth of the carbon atoms in the pristine hexagonal lattices with exact periodicity to form perfect $\sqrt{3} \times \sqrt{3}$ superlattices of graphene and carbon nanotubes. Multiple nanostructures of $\sqrt{3} \times \sqrt{3}$ graphene ribbons and carbon nanotubes are explored, and all configurations show nonmagnetic and metallic behaviors. The transport properties of $\sqrt{3} \times \sqrt{3}$ graphene and carbon nanotube superlattices are calculated utilizing the non-equilibrium Green's function formalism combined with density functional theory. The transmission spectrum through the pristine and $\sqrt{3} \times \sqrt{3}$ armchair carbon nanotube heterostructure shows quantized behavior under certain circumstances.

preprint2019arXiv

Optical conductivity of triple point fermions

As a low-energy effective theory on non-symmorphic lattices, we consider a generic triple point fermion Hamiltonian which is parameterized by an angular parameter $λ$. We find strong $λ$ dependence in both Drude and interband optical absorption of these systems. The deviation of the $T^2$ coefficient of the Drude weight from Dirac/Weyl fermions can be used as a quick way to optically distinguish the triple point degeneracies from the Dirac/Weyl degeneracies. At the particular $λ=π/6$ point, we find that the "helicity" reversal optical transition matrix element is identically zero. But deviating from this point, the helicity reversal emerges as an absorption channel.

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