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5 papers · 2 filters
Microscopic Origin of the Electric Dzyaloshinskii-Moriya Interaction
Peng Chen, Hong Jian Zhao, Sergey Prosandeev +2
The microscopic origin of the electric Dzyaloshinskii-Moriya interaction (eDMI) is unveiled and discussed by analytical analysis and first-principles based calculations. As similar…
Inorganic Crystal Structure Prototype Database based on Unsupervised Learning of Local Atomic Environments
Shulin Luo, Bangyu Xing, Muhammad Faizan +9
Recognition of structure prototypes from tremendous known inorganic crystal structures has been an important subject beneficial for material science research and new materials desi…
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…
Experimental phase transition mapping for hydrogen above 300 K up to 300 GPa
Chang-Sheng Zha, Hanyu Liu, Zhongwu Wang +1
A vast amount of Raman spectroscopic data, obtained using diamond anvil cell technique under in situ high pressure-temperature conditions, has been used for mapping the phase trans…
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…