Metastable cubic and tetragonal phases of transition metals predicted by density-functional theory release_sxw3mjhdevhwxns3oqughok6cu

by Stephan Schönecker, Xiaoqing Li, Klaus Koepernik, Börje Johansson, Levente Vitos, Manuel Richter

Published in RSC Advances by Royal Society of Chemistry (RSC).

2015   Issue 85, p69680-69689

Abstract

DFT calculations for 24 transition metals predict eleven metastable allotropes in fcc or bct phase and support a relation between nonequilibrium crystal structures observable in nanostructures and corresponding metastable isostructural bulk phases.
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Year   2015
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