36 citations · 85 across the 5 of their papers we have counts for
5 papers
Absence of high pressure ground state re-entrant ferroelectricity in PbTiO
R. E. Cohen, Yangzheng Lin, Muhtar Ahart +1
We study ferroelectricity in the classic perovskite ferroelectric PbTiO to high pressures with density functional theory (DFT) and experimental diamond-anvil techniques. We use…
Interpenetrating Graphene Networks: Three-dimensional Node-line Semimetals with Massive Negative Linear Compressibilities
Yangzheng Lin, Zhisheng Zhao, Timothy A. Strobel +1
We investigated the stability and mechanical and electronic properties of fifteen metastable mixed - carbon allotropes in the family of interpenetrating graphene networ…
Structural Diversity in Lithium Carbides
Yangzheng Lin, Timothy A. Strobel, R. E. Cohen
The lithium-carbon binary system possesses a broad range of chemical compounds, which exhibit fascinating chemical bonding characteristics that give rise diverse and technologicall…
Equations of state and stability of MgSiO perovskite and post-perovskite phases from quantum Monte Carlo simulations
Yangzheng Lin, R. E. Cohen, Stephen Stackhouse +4
We have performed quantum Monte Carlo (QMC) simulations and density functional theory (DFT) calculations to study the equations of state of MgSiO perovskite (Pv) and post-perov…
Prediction of a new potential high-pressure structure of FeSiO
R. E. Cohen, Yangzheng Lin
We predict a new candidate high-temperature high-pressure structure of FeSiO with space-group symmetry Cmmm by applying an evolutionary algorithm within DFT+U that we call post…