2 papers
cond-mat.supr-con2026
Quantitative Impact of Occupation Smearing Methods on Conventional Superconductivity: from Electronic Structure through Lattice Dynamics to Electron-Phonon Coupling
Zhongyu Wan
In first-principles calculations of metallic systems, the discrete electronic mesh in the Brillouin zone necessitates a smearing function and its width (e.g., the widely used 0.02…
cond-mat.supr-con2026
Effects of the choice of the exchange-correlation functional on high-temperature superconductivity predictions in covalent-cage M(BN)5 family
Zhongyu Wan, Guo-Hua Zhong, Cheng-wei Ju +2
The recent experimental synthesis of covalent cage superconductors has ignited hopes for ambient-pressure high-temperature superconductivity, while the computational strategy for d…