28 citations · 56 across the 4 of their papers we have counts for
4 papers
Prediction of Van Hove singularity systems in ternary borides
Yang Sun, Zhen Zhang, Andrew P Porter +3
A computational search for stable structures among both and phases of ternary ATB4 borides (A= Mg, Ca, Sr, Ba, Al, Ga, and Zn, T is 3d or 4d transition elements) has been p…
Metallization and Spin Fluctuations in Cu-doped Lead Apatite
Yang Sun, Kai-Ming Ho, Vladimir Antropov
An electronic structure and magnetic properties analysis of the recently proposed Cu-doped lead apatite is performed. We show that electronic structures of differently Cu-substitut…
Thermoelastic properties of bridgmanite using Deep Potential Molecular Dynamics
Tianqi Wan, Chenxing Luo, Yang Sun +1
MgSiO_3-perovskite (MgPv) plays a crucial role in the Earth's lower mantle. This study combines deep-learning potential (DP) with density functional theory (DFT) to investigate the…
Electron-phonon coupling strength from ab initio frozen-phonon approach
Yang Sun, Feng Zhang, Cai-Zhuang Wang +3
We propose a fast method for high-throughput screening of potential superconducting materials. The method is based on calculating metallic screening of zone-center phonon modes, wh…