Phase transitions and electron-phonon coupling in platinum hydride

被引:15
作者
Zhang, Chao [1 ]
Chen, Xiao-Jia [2 ]
Lin, Hai-Qing [1 ,3 ]
机构
[1] Beijing Computat Sci Res Ctr, Beijing 100084, Peoples R China
[2] S China Univ Technol, Dept Phys, Guangzhou 510640, Peoples R China
[3] Chinese Univ Hong Kong, Dept Phys, Shatin, Hong Kong, Peoples R China
关键词
HIGH-PRESSURE; LATTICE VIBRATIONS; SUPERCONDUCTIVITY; HYDROGEN; METAL; PSEUDOPOTENTIALS; TEMPERATURE; CRYSTAL; IRON;
D O I
10.1088/0953-8984/24/3/035701
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
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 (Pm (3) over barm, 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.
引用
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页数:6
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