33 citations · 80 across the 10 of their papers we have counts for
10 papers
Radial gradient of superionic hydrogen in Earth's inner core
Zepeng Wu, Liangrui Wei, Chen Gao +3
Hydrogen is considered a key light element in Earth's core, yet the thermodynamics of its superionic phase and its distribution in the inner core remain unclear. Here, we compute a…
Novel phases in the Fe-Si-O system at terapascal pressures
Nan Huang, Renata M. Wentzcovitch, Zepeng Wu +4
The Fe-Si-O ternary system, central to modeling the interiors of terrestrial planets, remains poorly constrained at Terapascal (TPa) pressures characteristic of super-Earth mantles…
Prediction of Li3Fe8B8 compound with rapid one-dimensional ion diffusion channels
Shiya Chen, Paul Oftedahl, Zhen Zhang +7
Using a computational crystal structure search in the Li-Fe-B ternary system, we predict a stable phase of Li3Fe8B8, featuring 1D channels that enable rapid Li-ion transport. Ab in…
Ab initio superionic-liquid phase diagram of Fe1-xOx under Earth's inner core conditions
Zepeng Wu, Chen Gao, Feng Zhang +4
The superionic state is a phase of matter in which liquid-like ionic mobility coexists with a solid crystalline lattice. Recently identified in Earth's inner core (IC), this state…
Computational electron-phonon superconductivity: from theoretical physics to material science
Shiya Chen, Feng Zheng, Zhen Zhang +4
The search for room-temperature superconductors is a major challenge in modern physics. The discovery of copper-oxide superconductors in 1986 brought hope but also revealed complex…
Melting Temperature of Iron Under the Earth's Inner Core Condition from Deep Machine Learning
Fulun Wu, Cai-Zhuang Wang, Kai-Ming Ho +3
Constraining the melting temperature of iron under Earth's inner core conditions is crucial for understanding core dynamics and planetary evolution. Here, we develop a deep potenti…
Prediction of ambient pressure superconductivity in cubic ternary hydrides with MH octahedra
Feng Zheng, Zhen Zhang, Shunqing Wu +7
Exploring high-temperature superconducting (high-) material at ambient pressure holds immense significance for physics, chemistry, and materials science. In this study, we per…
Deep-learning-based prediction of the tetragonalcubic transition in davemaoite
Fulun Wu, Yang Sun, Tianqi Wan +2
Davemaoite, i.e., perovskite (CaPv), is the third most abundant phase in the lower mantle and exhibits a tetragonal-cubic phase transition at high pressures and temperatu…
High-throughput screening for boride superconductors
Shiya Chen, Zepeng Wu, Zhen Zhang +4
A high-throughput screening using density functional calculations is performed to search for stable boride superconductors from the existing materials database. The workflow employ…
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…