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5 papers · 2 filters
Robust Diffusive Proton Motions in Phase IV of Solid Hydrogen
Hanyu Liu, John Tse, Yanming Ma
Systematic first-principles molecular dynamics (MD) simulations with long simulation times (7-13 ps) for phase IV of solid hydrogen using different supercell sizes of 96, 288, 576,…
2DEGs at perovskite interfaces between KTaO3 or KNbO3 and stannates
X. F. Fan, W. T. Zheng, X. Chen +1
We report density functional studies of electron rich interfaces between KTaO3 or KNbO3 and CaSnO3 or ZnSnO3 and in particular the nature of the interfacial electron gasses that ca…
The study of high pressure structural stability of CeO2 nanoparticles
Bo Liu, Ran Liu, Quan-Jun Li +4
In situ high pressure XRD diffraction and Raman spectroscopy have been performed on 12 nm CeO2 nanoparticles. Surprisingly, under quasihydrostatic condition, 12 nm CeO2 nanoparticl…
Signatures of a Pressure-Induced Topological Quantum Phase Transition in BiTeI
Xiaoxiang Xi, Chunli Ma, Zhenxian Liu +6
We report the observation of two signatures of a pressure-induced topological quantum phase transition in the polar semiconductor BiTeI using x-ray powder diffraction and infrared…
Anomalous melting behavior of solid hydrogen at high pressures
Hanyu Liu, E. R. Hernandez, Jun Yan +1
Hydrogen is the most abundant element in the universe, and its properties under conditions of high temperature and pressure are crucial to understand the interior of of large gaseo…