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cond-mat.mtrl-sci2024
First-principles study of structural and electronic properties of multiferroic oxide Mn3TeO6 under high pressure
Xiao-Long Pan, Hao Wang, Lei Liu +2
Mn3TeO6 (MTO) has been experimentally found to adopt a P21/n structure under high pressure, which exhibits a significantly smaller band gap compared to the atmospheric R-3 phase. I…
cond-mat.mtrl-sci2024★ 1 cited
Prediction of Superionic State in LiH2 at Conditions Enroute to Nuclear Fusion
Fude Li, Hao Wang, Jinlong Li +1
Hydrogen and lithium, along with their compounds, are crucial materials for nuclear fusion research. High-pressure studies have revealed intricate structural transitions in all the…