output
20052026
most citedCALYPSO: a method for crystal structure prediction

2.9k citations

Showing 2013Show all

7 papers · 1 filter

cond-mat.str-el2013★ 63 cited

A Novel High-Pressure Monoclinic Metallic Phase of V2O3

Yang Ding, Cheng-Chien Chen, Qiaoshi Zeng +11

Vanadium sesquioxide, V2O3, is a prototypical metal-to-insulator system where, in temperature-dependent studies, the transition always coincides with a corundum-to-monoclinic struc…

cond-mat.mtrl-sci2013

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,…

physics.chem-ph2013★ 1 cited

Mechano-freezing of the ambient water

Xi Zhang, Tingting Yan, Bo Zou +1

Raman spectroscopy examination of the 25 deg-C water freezing under compression revealed transition from 1.35 GPa to 0.86 GPa upon ice being formed at continued volume change. The…

cond-mat.mes-hall2013★ 14 cited

Gate depletion of an InSb two-dimensional electron gas

M. M. Uddin, H. W. Liu, K. F. Yang +6

We investigated the gate control of a two-dimensional electron gas (2DEG) confined to InSb quantum wells with an Al2O3 gate dielectric formed by atomic layer deposition on a surfac…

physics.geo-ph2013★ 430 cited

Xenon Reacts with Iron at the Conditions of the Earth's Core

Li Zhu, Hanyu Liu, Chris J. Pickard +2

Studies of the Earth's atmosphere have shown that more than 90% of xenon (Xe) is depleted compared with its abundance in chondritic meteorites. This long-standing missing Xe parado…

cond-mat.mtrl-sci2013★ 14 cited

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…

cond-mat.mtrl-sci2013★ 171 cited

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…