70 citations · 593 across the 36 of their papers we have counts for
7 papers · 1 filter
Unveiling the effect of Ni on the formation and structure of Earth's inner core
Yang Sun, Mikhail I. Mendelev, Feng Zhang +5
Ni is the second most abundant element in the Earth's core. Yet, its effects on the inner core's structure and formation process are usually disregarded because of its electronic a…
Prediction of superconductivity in metallic boron-carbon compounds from 0 to 100 GPa by high-throughput screening
Feng Zheng, Yang Sun, Renhai Wang +7
Boron carbon compounds have been shown to have feasible superconductivity. In our earlier paper [Zheng et al., Phys. Rev. B 107, 014508 (2023)], we identified a new conventional su…
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…
Structural prediction of Fe-Mg-O compounds at Super-Earth's pressures
Yimei Fang, Yang Sun, Renhai Wang +6
Terrestrial exoplanets are of great interest for being simultaneously similar to and different from Earth. Their compositions are likely comparable to those of solar-terrestrial ob…
Effect of Doping on the phase stability and Superconductivity in LaH10
Zepeng Wu, Yang Sun, Artur P. Durajski +4
We present a computational investigation into the effects of chemical doping with 15 different elements on phase stability and superconductivity in the LaH10 structure. Most doping…
Structure and dynamics of Fe90Si3O7 liquids close to Earth's liquid core conditions
Ling Tang, Chao Zhang, Yang Sun +3
Using an artificial neural-network machine learning interatomic potential, we have performed molecular dynamics simulations to study the structure and dynamics of Fe90Si3O7 liquid…
Effect of nitrogen doping and pressure on the stability of LuH
Yang Sun, Feng Zhang, Shunqing Wu +2
The report on the near-ambient superconductivity in a nitrogen-doped lutetium hydride has stimulated great interest in this material (Dasenbrock-Gammon et al. 2023). While its supe…