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Published in

IOP Publishing, Journal of Physics: Condensed Matter, 3(24), p. 035701

DOI: 10.1088/0953-8984/24/3/035701

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Phase transitions and electron–phonon coupling in platinum hydride

Journal article published in 2011 by Chao Zhang ORCID, Xiao-Jia Chen, Hai-Qing Lin
This paper is available in a repository.
This paper is available in a repository.

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Abstract

Structural phase transitions and superconducting properties of platinum hydride under pressure are explored through the first-principles calculations based on the density functional theory. Three new low-pressure phases (Pm3m, Cmmm and P4/nmm) are predicted, and all of them are metallic and stable relative to decomposed cases. The superconducting critical temperature of two high-pressure phases correlates with the electron-phonon coupling. The presence of soft modes induced by Kohn anomalies and the hybridization between H and Pt atoms result in the strong electron-phonon coupling. Our results have major implications for other transition metal hydrides under pressure.