2.6k citations · 6.2k across the 60 of their papers we have counts for
60 papers
Berry phases in Coulomb drag of double-layer graphene system
Jianghui Pan, Lijun Zhu, Xiaoqiang Liu +3
Recent experiments suggest quantum interference effects in the Coulomb drag of double-layer graphene systems. By accounting for correlated interlayer impurity scattering under a we…
NeuralSCF: Neural network self-consistent fields for density functional theory
Feitong Song, Ji Feng
Kohn-Sham density functional theory (KS-DFT) has found widespread application in accurate electronic structure calculations. However, it can be computationally demanding especially…
Layered Kagome Compound NaNiS with Topological Flat Band
Junyao Ye, Yihao Lin, Haozhe Wang +4
We report structural and electronic properties of NaNiS, a quasi-two-dimensional compound composed of alternating layers of [NiS] and Na. The compo…
Assessing the atomic moment picture of spin dynamics: the perspective of \textit{ab initio} magnon wavefunction
Yihao Lin, Ji Feng
Our understanding of collective spin fluctuation in materials relies largely on Heisenberg-type spin Hamiltonians. Implicit in these spin models is the atomic moment picture that i…
Exploration of magnetoelastic deformations in spin-chain compound CuBr
Biaoyan Hu, Yingying Peng, Xiaoqiang Liu +7
We investigate a spin- antiferromagnet, CuBr, which has quasi-one-dimensional structural motifs. The system has previously been observed to exhibit unusual Raman m…
Symmetry transformation of nonlinear optical current of tilted Weyl nodes and application to ferromagnetic MnBi2Te4
Zhuocheng Lu, Ji Feng
A Weyl node is characterized by its chirality and tilt. We develop a theory of how th-order nonlinear optical conductivity behaves under transformations of anisotropic tensor an…
Observation of 1D Fermi arc states in Weyl semimetal TaAs
Xiaohu Zheng, Qiangqiang Gu, Yiyuan Liu1 +6
Fermi arcs on Weyl semimetals exhibit many exotic quantum phenomena. Usually considered on atomically-flat surfaces with approximate translation symmetry, Fermi arcs are rooted in…
An implementation of the density functional perturbation theory in the PAW framework
Xiaoqiang Liu, Yihao Lin, Ji Feng
Quantifying materials' dynamical responses to external electromagnetic fields is central to understanding their physical properties. Here we present an implementation of the densit…
Emergence of bond-dependent highly anisotropic magnetic interactions in SrRhO: a theoretical study
Shishir Kumar Pandey, Qiangqiang Gu, Yihao Lin +2
The quantum spin liquid states as a natural ground state of the Kitaev model has led to a quest for new materials candidates hosting Kitaev physics. Yet, there are very few materia…
Spin interaction and magnetism in cobaltate Kitaev candidate materials: an and model Hamiltonian approach
Shishir Kumar Pandey, Ji Feng
In the quest for materials hosting Kitaev spin liquids, much of the efforts have been focused on the fourth- and fifth-row transition metal compounds, which are spin-orbit coupling…
Topological surfaces of domain wall-decorated antiferromagnetic topological insulator MnBiTe
Yihao Lin, Ji Feng
Antiferromagnetic topological insulators harbor topological in-gap surface states protected by an anti-unitary symmetry, which is broken by the inevitable presence of domain wa…
Charge doping to flat AgF2 monolayers in a chemical capacitor setup
Daniel Jezierski, Adam Grzelak, XiaoQiang Liu +5
Flat monolayers of silver II fluoride, which could be obtained by epitaxial deposition on an appropriate substrate, have been recently predicted to exhibit very strong antiferromag…
Coexistence of Multiple Stacking Charge Density Waves in Kagome Superconductor
Qian Xiao, Yihao Lin, Qizhi Li +9
The recently discovered Kagome family (A = K, Rb, Cs) exhibits rich physical phenomena, including non-trivial topological electronic structure, gia…
A silver(II) route to unconventional superconductivity
Xiaoqiang Liu, Shishir K. Pandey, Ji Feng
The highly unusual divalent silver in silver difluoride (AgF) features a nearly square lattice of Ag bridged by fluorides. As a structural and electronic analogue of cup…
Dynamical correlation enhanced orbital magnetization in VI
Zhimou Zhou, Shishir Kumar Pandey, Ji Feng
The effect of electronic correlations on the orbital magnetization in real materials has not been explored beyond a static mean-field level. Based on the dynamical mean-field theor…
Worldline algorithm by oracle-guided variational autoregressive network
Zhifang Shi, Yuchuang Cao, Qiangqiang Gu +1
The variational autoregressive network is extended to the Euclidean path integral representation of quantum partition function. An essential challenge is adapting the sequential pr…
Neural network representation of electronic structure from molecular dynamics
Qiangqiang Gu, Linfeng Zhang, Ji Feng
Despite their rich information content, electronic structure data amassed at high volumes in molecular dynamics simulations are generally under-utilized. We introduce…
Eightfold Fermionic Excitation in a Charge Density Wave Compound
Xi Zhang, Qiangqiang Gu, Haigen Sun +19
Unconventional quasiparticle excitations in condensed matter systems have become one of the most important research frontiers. Beyond two- and fourfold degenerate Weyl and Dirac fe…
A non-iterative method for the vertex corrections of the Kubo formula for electric conductivity
Yi-Wen Wei, Chao-Kai Li, Yuchuang Cao +1
In computing electric conductivity based on the Kubo formula, the vertex corrections describe such effects as anisotropic scattering and quantum interference and are important to q…
Emergent superconductivity in two-dimensional NiTe crystals
Feipeng Zheng, Xi-Bo Li, Yiping Lin +2
Despite growing interest in them, highly crystalline two-dimensional superconductors derived from exfoliated layered materials are few. Employing the anisotropic Migdal-Eliashberg…
Distinct fingerprints of charge density waves and electronic standing waves in ZrTe
Li Yue, Shangjie Xue, Jiarui Li +9
Experimental signatures of charge density waves (CDW) in high-temperature superconductors have evoked much recent interest, yet an alternative interpretation has been theoretically…
Electron-phonon coupling and the Coexistence of Superconductivity and Charge-Density Wave in Monolayer NbSe2
Feipeng Zheng, Ji Feng
Monolayer 2H-NbSe2 has recently been shown to be a 2-dimensional superconductor, with a coexisting charge-density wave (CDW). As both phenomena are intimately related to electron-l…
High-pressure lithium as an elemental topological semimetal
S. F. Elatresh, Zhimou Zhou, N. W. Ashcroft +3
Topological semimetals generally contain heavy elements. Using density-functional theoretic calculations, we predict that three dense lithium polymorphs in the pressure range 200--…
Oxygen-Octahedral-Tilting-Driven Topological Hall Effect in Ultrathin SrRuO3 Films
Youdi Gu, Yi-Wen Wei, Kun Xu +13
Topological spin textures as an emerging class of topological matter offer a medium for information storage and processing. The recently discovered topological Hall effect (THE) is…