5 papers
Magnetic phases and electron-phonon coupling in LaNiO under pressure
Cong Zhu, Bin Li, Yuxiang Fan +5
Motivated by recent reports of pressure-induced superconductivity in bilayer nickelate LaNiO, we present a comprehensive investigation into the structural, electronic,…
Prediction of high-temperature ambient-pressure superconductivity in hexagonal boron-rich clathrates
Bin Li, Yuxiang Fan, Chuanhui Yin +5
Inspired by recent predictions of superconductivity in B-C framework clathrates, we employ density functional theory to explore potential superconductors among hexagonal hydride-su…
Theoretical Prediction of High-Temperature Superconductivity in SrAuH at Ambient Pressure
Bin Li, Cong Zhu, Junjie Zhai +5
We present a comprehensive computational investigation of electron-phonon interactions in MXH hydride compounds, where represents alkali and post-transition metals, and …
Superconductive Sodalite-like Clathrate Hydrides MXH with Critical Temperatures of near 300 K under Pressures
Yuxiang Fan, Bin Li, Cong Zhu +3
We designed and investigated a series of ternary hydride compounds MXH crystallizing in the cubic structure as potential rare-earth and alkaline-earth supe…
Superconductivity near 70 K in boron-carbon clathrates MBC (M = Na, K, Rb, Cs) at ambient pressure
Bin Li, Yulan Cheng, Cong Zhu +2
Inspired by the first boron-carbon (B-C) clathrate SrBC and the ternary borohydride KBH [Miao et al., Phys. Rev. B 104 L100504 (2021)], we have performed first-prin…