4 papers
General linear correction method for DFT+X energy: application to U-M (M=Al, Ga, In) alloys under high pressure
X. L. Pan, H. X. Song, Y. Sun +6
DFT+X methods, such as DFT+U and DFT+DMFT, are important supplements to standard density functional theory when strong on-site Coulomb interactions are present. However, the involv…
Appraising the absolute limits of nanotubes and nanospheres to preserve high-pressure materials
Yin L. Xu, Guang F. Yang, Yi Sun +5
Matter under high pressure often exhibits attractive properties, which, unfortunately, are typically irretrievable when released to ambient conditions. Intuitively, nanostructure e…
Hyperbolic Dispersion and Low-Frequency Plasmons in Electrides
Qi-Dong Hao, Hao Wang, Hong-Xing Song +2
Natural hyperbolic materials have attracted significant interest in the field of photonics due to their unique optical properties. Based on the initial successful explorations on l…
He-Mg compounds and helium-driven nonmetal transition in metallic magnesium
Y. S. Huang, H. X. Song, Q. D. Hao +6
The polymorphism and mechanism of helium compounds is crucial for understanding the physical and chemical nature of He-bearing materials under pressures. Here, we predict two new t…