140 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Jilin UniversityCN38 papers
- State Key Laboratory of High Pressure and Superhard MaterialsCN13 papers
- National Academy of Sciences of UkraineUA12 papers
- Institute of Radio AstronomyUA9 papers
- Main Astronomical ObservatoryUA6 papers
- Chinese Academy of SciencesCN5 papers
- Heidelberg UniversityDE5 papers
- National Technical University "Kharkiv Polytechnic Institute"UA4 papers
- State Key Laboratory on Integrated OptoelectronicsCN4 papers
- Center for Advanced Systems UnderstandingDE3 papers
- Jilin Medical UniversityCN3 papers
- Lviv UniversityUA3 papers
13 papers · 1 filter
Unlocking the Power of Orbital-Free Density Functional Theory to Explore the Electronic Structure Under Extreme Conditions
Cheng Ma, Qiang Xu, Zhenhao Zhang +8
Recent advances in X-ray free-electron laser diagnostics have enabled direct probing of the electronic structure under extreme pressures and temperatures, such as those encountered…
Zeeman-type spin splittings in strained d-wave altermagnets
Yahui Zhai, Longju Yu, Jian Lv +2
Recently, altermagnetic materials have become rather attractive because such materials showcase combined advantages of ferromagnets (e.g., spin current) and antiferromagnets (e.g.,…
CrystalFlow: A Flow-Based Generative Model for Crystalline Materials
Xiaoshan Luo, Zhenyu Wang, Qingchang Wang +4
Deep learning-based generative models have emerged as powerful tools for modeling complex data distributions and generating high-fidelity samples, offering a transformative approac…
Engineering ferroelectricity in monoclinic hafnia
Hong Jian Zhao, Yuhao Fu, Longju Yu +4
Ferroelectricity in the complementary metal-oxide semiconductor (CMOS)-compatible hafnia (HfO) is crucial for the fabrication of high-integration nonvolatile memory devices. Ho…
The anti-symmetric and anisotropic symmetric exchange interactions between electric dipoles in hafnia
Longju Yu, Hong Jian Zhao, Peng Chen +2
The anti-symmetric and anisotropic symmetric exchange interactions between two magnetic dipole moments - responsible for intriguing magnetic textures (e.g., magnetic skyrmions) - h…
Zeeman effect in centrosymmetric antiferromagnets controlled by an electric field
Hong Jian Zhao, Xinran Liu, Yanchao Wang +3
Centrosymmetric antiferromagnetic semiconductors, although abundant in nature, seem less promising than ferromagnets and ferroelectrics for practical applications in semiconductor…
Nonlocal Pseudopotential Energy Density Functional for Orbital-Free Density Functional Theory
Qiang Xu, Cheng Ma, Wenhui Mi +2
Orbital-free density functional theory (OF-DFT) runs at low computational cost that scales linearly with the number of simulated atoms, making it suitable for large-scale material…
Design and Synthesis of Clathrate LaB8 with Superconductivity
Liang Ma, Xin Yang, Guangtao Liu +6
Boron-based clathrate materials, typically with three-dimensional networks of B atoms, have tunable properties through substitution of guest atoms, but the tuning of B cages themse…
A Symmetry-orientated Divide-and-Conquer Method for Crystal Structure Prediction
Xuecheng Shao, Jian Lv, Peng Liu +5
Crystal structure prediction has been a subject of topical interest, but remains a substantial challenge, especially for complex structures as it deals with the global minimization…
En route to high Tc superconductivity via Rb substitution of guest metal atoms in SrB3C3 clathrate
Peiyu Zhang, Xue Li, Xin Yang +3
Recently, a host/guest clathrate SrB3C3 with sp3-bonded boron-carbon framework was synthesized at around 50 GPa. On the basis of electron count, the structure is understood as gues…
Superconductivity in Shear Strained Semiconductors
Chang Liu, Xianqi Song, Quan Li +2
Semiconductivity and superconductivity are remarkable quantum phenomena that have immense impact on science and technology, and materials that can be tuned, usually by pressure or…
Crossing and anti-crossing effects of polaritons in a magnetic-semiconductor superlattice influenced by an external magnetic field
Vladimir R. Tuz, Volodymyr I. Fesenko, Illia V. Fedorin +2
Crossing and anti-crossing effects in dispersion characteristics of both bulk and surface polaritons in a magnetic-semiconductor superlattice influenced by an external static magne…
Coexistence of bulk and surface polaritons in a~magnetic-semiconductor superlattice influenced by a transverse magnetic field
Vladimir R. Tuz, Volodymyr I. Fesenko, Illia V. Fedorin +2
It is demonstrated that the effect of coexistence of bulk and surface polaritons within the same frequency band and wavevector space can be achieved in a magnetic-semiconductor sup…