1.6k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Chinese Academy of SciencesCN196 papers
- Beijing Normal UniversityCN148 papers
- University of Science and Technology of ChinaCN128 papers
- Lanzhou UniversityCN95 papers
- Zhejiang UniversityCN90 papers
- Tsinghua UniversityCN76 papers
- University of LisbonPT75 papers
- Centre National de la Recherche ScientifiqueFR74 papers
- University of Chinese Academy of SciencesCN73 papers
- Institute of PhysicsPL66 papers
- Institute of Theoretical PhysicsCN65 papers
- China Academy of Engineering PhysicsCN63 papers
16 papers · 2 filters
First-principles study of magnon-phonon interactions in gadolinium iron garnet
Lian-Wei Wang Li-Shan Xie Peng-Xiang Xu Ke Xia
We obtained the spin-wave spectrum based on a first-principles method of exchange constants, calculated the phonon spectrum by the first-principles phonon calculation method, and e…
Enhanced spin-orbit coupling in a heavy metal via molecular coupling
Satam Alotibi, B. J. Hickey, Gilberto Teobaldi +11
Heavy metals are key to spintronics because of their high spin-orbit coupling (SOC) leading to efficient spin conversion and strong magnetic interactions. When C60 is deposited on…
A realistic dimension-independent approach for charged defect calculations in semiconductors
Jin Xiao, Kaike Yang, Dan Guo +5
First-principles calculations of charged defects have become a cornerstone of research in semiconductors and insulators by providing insights into their fundamental physical proper…
GW electronic structure calculations of Co doped ZnO
Dennis Franke, Michael Lorke, Thomas Frauenheim +1
Recently the point defect responsible for the intra-3 luminescence of cobalt in doped ZnO samples has been indentified\,\cite{pssb2019}. In this work we further extend our inves…
Carrier free long-range magnetism in Mo doped one quintuple layer Bi2Te3 and Sb2Te3
Xiaodong Zhang, Junyi Zhu
One of the keys to the realization of Quantum Anomalous Hall effect (QAHE) is long range ferromagnetism, which is only experimentally realized in Cr or V doped (Bi,Sb)2Te3 system.…
Giant Enhancement of Solid Solubility in Monolayer BNC Alloys by Selective Orbital Coupling
Shiqiao Du, Jianfeng Wang, Lei Kang +2
Solid solubility (SS) is one of the most important features of alloys, which is usually difficult to be largely tuned in the entire alloy concentrations by external approaches. Som…
Nonlinear anomalous Hall effect for Néel vector detection
Ding-Fu Shao, Shu-Hui Zhang, Gautam Gurung +2
Antiferromagnetic (AFM) spintronics exploits the Néel vector as a state variable for novel spintronic devices. Recent studies have shown that the field-like and antidamping spin-or…
A Koopmans-compliant screened exchange potential with correct asymptotic behavior for semiconductors
Michael Lorke, Peter Deák, Thomas Frauenheim
The performance of density functional theory depends largely on the approximation applied for the exchange functional. We propose here a novel screened exchange potential for semic…
Flat Bands in Twisted Bilayers of Two-Dimensional Polar Materials
Xing-Ju Zhao, Yang Yang, Dong-Bo Zhang +1
The existence of Bloch flat bands provides an facile pathway to realize strongly correlated phenomena in materials. Using density-functional theory and tight-binding approach, we s…
Atomic nonaffinity as a predictor of plasticity in amorphous solids
Bin Xu, Michael L. Falk, Sylvain Patinet +1
Structural heterogeneity of amorphous solids present difficult challenges that stymie the prediction of plastic events, which are intimately connected to their mechanical behavior.…
Prediction of Stoner-Type Magnetism in Low-Dimensional Electrides
Xuelei Sui, Jianfeng Wang, Wenhui Duan
Electrides are special ionic solids with excess cavity-trapped electrons serving as anions. Despite the extensive studies on electrides, the interplay between electrides and magnet…
Anomalous Dirac Plasmons in 1D Topological Electrides
Jianfeng Wang, Xuelei Sui, Shiwu Gao +3
Plasmon opens up the possibility to efficiently couple light and matter at sub-wavelength scales. In general, the plasmon frequency is dependent of carrier density. This dependency…
Realization of Lieb Lattice in Covalent-organic Frameworks with Tunable Topology and Magnetism
Bin Cui, Xingwen Zheng, Jianfeng Wang +3
Lieb lattice, a two-dimensional edge-depleted square lattice, has been predicted to host various exotic electronic properties due to its unusual band structure, i.e., Dirac cone in…
phq: a Fortran code to compute phonon quasiparticle properties and dispersions
Zhen Zhang, Dong-Bo Zhang, Tao Sun +1
We here introduce a Fortran code that computes anharmonic free energy of solids from first-principles based on our phonon quasiparticle approach. In this code, phonon quasiparticle…
Enhancing CdTe Solar Cell Performance by Reducing the "Ideal" Bandgap of CdTe through CdTe1-xSex Alloying
Jingxiu Yang, Su-Huai Wei
CdTe is one of the leading materials for low cost, high efficiency thin-film solar cells, because it has a high absorption coefficient and a nearly ideal band gap of 1.48 eV for so…
Raman spectrum of 1T'-WTe2 under tensile strain: A first-principles prediction
Wei Yang, Zi-Yang Yuan, Ying-Qi Luo +6
Monolayer WTe2 attracts rapidly growing interests for its large-gap quantum spin Hall effect,which enables promising apllications in flexible logic devices. Due to one-dimensional…