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Junwen Li

Junwen Li appears in the imported research catalog. Authorship, coauthor and topic links are available while profile ownership is still unclaimed.

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cond-mat.mtrl-scicond-mat.mes-hallArtificial Intelligencephysics.chem-ph

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Published work

10 published item(s)

preprint2026arXiv

Towards Autonomous Business Intelligence via Data-to-Insight Discovery Agent

Transforming fragmented enterprise data into actionable insights remains a significant challenge for LLMs, constrained by complex database schemas, limitations in dynamic SQL generation, and the need for deep multi-dimensional analysis.In this paper, we propose AIDA(Autonomous Insight Discovery Agent), the first end-to-end framework designed for autonomous exploration in complex business environments. We establish a highly flexible instant retail environment encompassing 200+ metrics and 100+ dimensions, and integrates a proprietary Domain-Specific Language (DSL) that bridges semantic reasoning with precise SQL execution. Our reinforcement learning system subsequently formulates business analysis as a Pareto Principle-guided cumulative reasoning process. Experimental results demonstrate that AIDA significantly outperforms workflow-based agents, and extensive evaluations further reveal that AIDA achieves superior environmental perception and more in-depth analysis from diverse perspectives. Our work ultimately establishes the transformative potential of autonomous intelligence for industrial-scale business intelligence systems.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Unconventional spin-orbit torque in transition metal dichalcogenide/ferromagnet bilayers from first-principles calculations

Motivated by recent observations of unconventional out-of-plane dampinglike torque in \ch{WTe2}/Permalloy bilayer systems, we calculate the spin-orbit torque generated in two-dimensional transition metal dichalcogenide (TMD)-ferromagnet heterostructures using first-principles methods and linear response theory. Our numerical calculation of spin-orbit torques in \ch{WTe2}/Co and \ch{MoTe2}/Co heterostructures shows both conventional and novel dampinglike torkances (torque per electric field) with comparable magnitude, around $100~\hbar/2e~(\rm Ω\cdot cm)^{-1}$, for an electric field applied perpendicular to the mirror plane of the TMD layer. To gain further insight into the source of dampinglike torque, we compute the spin current flux between the TMD and Co layers and find good agreement between the two quantities. This indicates that the conventional picture of dampinglike spin-orbit torque, whereby the torque results from the spin Hall effect plus spin transfer torque, largely applies to TMD/Co bilayer systems.

0 citations0 reviewsNo code linkedOpen access
preprint2016arXiv

Circular Photogalvanic Effect in Organometal Halide Perovskite CH$_3$NH$_3$PbI$_3$

We study the circular photogalvanic effect in the organometal halide perovskite solar cell absorber CH$_3$NH$_3$PbI$_3$. For crystal structures which lack inversion symmetry, the calculated photocurrent density is about $10^{-9}$ A/W, comparable to the previously studied quantum well and bulk Rashba systems. Because of the dependence of the circular photogalvanic effect on inversion symmetry breaking, the degree of inversion asymmetry at different depths from the surface can be probed by tuning the photon energy and associated penetration depth. We propose that measurements of this effect may clarify the presence or absence of inversion symmetry, which remains a controversial issue and has been argued to play an important role in the high conversion efficiency of this material.

0 citations0 reviewsNo code linkedOpen access
preprint2016arXiv

Interfacial magnetic anisotropy from a 3-dimensional Rashba substrate

We study the magnetic anisotropy which arises at the interface between a thin film ferromagnet and a 3-d Rashba material. The 3-d Rashba material is characterized by the spin-orbit strength $α$ and the direction of broken bulk inversion symmetry $\hat n$. We find an in-plane uniaxial anisotropy in the $\hat{z}\times\hat{n}$ direction, where $\hat z$ is the interface normal. For realistic values of $α$, the uniaxial anisotropy is of a similar order of magnitude as the bulk magnetocrystalline anisotropy. Evaluating the uniaxial anisotropy for a simplified model in 1-d shows that for small band filling, the in-plane easy axis anisotropy scales as $α^4$ and results from a twisted exchange interaction between the spins in the 3-d Rashba material and the ferromagnet. For a ferroelectric 3-d Rashba material, $\hat n$ can be controlled with an electric field, and we propose that the interfacial magnetic anisotropy could provide a mechanism for electrical control of the magnetic orientation.

0 citations0 reviewsNo code linkedOpen access
preprint2016arXiv

Optical Spintronics in Organic-Inorganic Perovskite Photovoltaics

Organic-inorganic halide CH$_3$NH$_3$PbI$_3$ solar cells have attracted enormous attention in recent years due to their remarkable power conversion efficiency. When inversion symmetry is broken, these materials should exhibit interesting spin-dependent properties as well, owing to their strong spin-orbit coupling. In this work, we consider the spin-dependent optical response of CH$_3$NH$_3$PbI$_3$. We first use density functional theory to compute the ballistic spin current generated by absorption of unpolarized light. We then consider diffusive transport of photogenerated charge and spin for a thin CH$_3$NH$_3$PbI$_3$ layer with a passivated surface and an Ohmic, non-selective contact. The spin density and spin current are evaluated by solving the drift-diffusion equations for a simplified 3-dimensional Rashba model of the electronic structure of the valence and conduction bands. We provide analytic expressions for the photon flux required to induce measurable spin densities, and propose that these spin densities can provide useful information about the role of grain boundaries in the photovoltaic behavior of these materials. We also discuss the prospects for measuring the optically generated spin current with the inverse spin Hall effect.

0 citations0 reviewsNo code linkedOpen access
preprint2014arXiv

MXenes as High Capacity Electrode Materials for Metal (Li, Na, K, Ca)-ion batteries

Two-dimensional (2D) materials can have an excellent capability to handle high rates of charge in ion batteries since metal ions need not diffuse in a 3D lattice structure. However graphene, which is the most important 2D material, is known to have no Li capacity. Herein, adsorption of Li, as well as Na, K, and Ca on Ti$_3$C$_2$, one representative MXene, is predicted by first-principles density functional calculations. In our study, we observed that these alkali ions exhibit different adsorption energy depending on the coverage. The adsorption energies of Na, K and Ca decrease as coverage increases, while Li shows little sensitivity to variance in coverage. This observed relationship between adsorption energies and coverage of alkali ions on Ti$_3$C$_2$ can be explained by their effective ionic radii. A larger effective ionic radius increases interaction between alkali atoms, thus lower capacity and coverage are obtained. Our calculated capacity values for Li, Na, K and Ca on Ti$_3$C$_2$ are 639.5, 319.8, 191.8 and 159.9 mAh g$^{-1}$, respectively. Compared to materials currently used in Li ion battery anodes, MXene shows great promise in increasing overall battery performance.

0 citations0 reviewsNo code linkedOpen access
preprint2013arXiv

Bonding Charge Density and Ultimate Strength of Monolayer Transition Metal Dichalcogenides

Two-dimensional (2D) semiconducting transition metal dichalcogenides (TMDs) can withstand a large deformation without fracture or inelastic relaxation, making them attractive for application in novel strain-engineered and flexible electronic and optoelectronic devices. In this study, we characterize the mechanical response of monolayer group VI TMDs to large elastic deformation using first-principles density functional theory calculations. We find that the ultimate strength and the overall stress response of these 2D materials is strongly influenced by their chemical composition and loading direction. We demonstrate that differences in the observed mechanical behavior can be attributed to the spatial redistribution of the occupied hybridized electronic states in the region between the transition metal atom and the chalcogens. In spite of the strong covalent bonding between the transition metal and the chalcogens, we find that a simple linear relationship can be established to describe the dependence of the mechanical strength on the charge transfer from the transition metal atom to the chalcogens.

0 citations0 reviewsNo code linkedOpen access
preprint2013arXiv

Defective graphene as promising anode material for Na-ion battery and Ca-ion battery

We have investigated adsorption of Na and Ca on graphene with divacancy (DV) and Stone-Wales (SW) defect. Our results show that adsorption is not possible on pristine graphene. However, their adsorption on defective sheet is energetically favorable. The enhanced adsorption can be attributed to the increased charge transfer between adatoms and underlying defective sheet. With the increase in defect density until certain possible limit, maximum percentage of adsorption also increases giving higher battery capacity. For maximum possible DV defect, we can achieve maximum capacity of 1459 mAh/g for Na-ion batteries (NIBs) and 2900 mAh/g for Ca-ion batteries (CIBs). For graphene full of SW defect, we find the maximum capacity of NIBs and CIBs is around 1071 mAh/g and 2142 mAh/g respectively. Our results will help create better anode materials with much higher capacity and better cycling performance for NIBs and CIBs.

0 citations0 reviewsNo code linkedOpen access
preprint2013arXiv

The Equilibrium Shape of Graphene Domains on Ni(111)

We have determined the equilibrium shape of graphene domains grown on Ni(111) via carbon segregation at 925°C. In situ, spatially-resolved electron diffraction measurements were used to determine the crystallographic orientation of the edges of the graphene domains. In contrast to recent theoretical predictions of a nearly-circular shape, we show that graphene domains, which nucleate with random shapes, all evolve toward a triangular equilibrium shape with 'zig-zag' edges. Only one of the two possible zig-zag edge orientations is observed.

0 citations0 reviewsNo code linkedOpen access
preprint2010arXiv

Graphene quantum dots embedded in hexagonal boron nitride sheets

We have carried out first-principles calculations on electronic properties of graphene quantum dots embedded in hexagonal boron nitride monolayer sheets. The calculations with density functional theory show that the band gaps of quantum dots are determined by the quantum confinement effects and the hybridization of π orbitals from B, N and C atoms. The energy states near the Fermi level are found to be strongly localized within and in the vicinity of the quantum dots.

0 citations0 reviewsNo code linkedOpen access