Electronic and crystal structures of osmium under high pressure

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DOIResolve DOI: http://doi.org/10.1103/PhysRevB.72.174103
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TypeArticle
Journal titlePhysical review. B, Condensed matter and materials physics
Volume72
Pages174103–; # of pages: 1
AbstractThe equation of states, electronic and phonon band structure, Fermi surface, and transport properties of Os under high pressure have been studied with first-principles calculations. The theoretical results reproduced the experimentally observed anomaly in the c/a ratio around 25 GPa . Analysis of the electronic band structure and Fermi surface does not support an electronic topological transition. Moreover, no phonon softening was observed in the lattice dynamics calculations. However, calculations of the Hall coefficient reveal subtle changes in the electron band dispersions at the Fermi surface which may account for the observed anomaly in the c/a ratio.
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AffiliationNational Research Council Canada; NRC Steacie Institute for Molecular Sciences
Peer reviewedNo
NPARC number12339079
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Record identifierd80f69e4-49b7-4e0d-a084-4b114d79d588
Record created2009-09-11
Record modified2016-05-09
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