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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…