High-temperature superconductivity in the Ti-H system at high pressures

被引：18

作者：

Zhang, Jin ^{[1
]}

McMahon, Jeffrey M. ^{[1
]}

Oganov, Artem R. ^{[2
,3
,4
]}

Li, Xinfeng ^{[5
]}

Dong, Xiao ^{[6
,7
]}

Dong, Huafeng ^{[8
]}

Wang, Shengnan ^{[9
,10
]}

机构：

[1] Washington State Univ, Dept Phys & Astron, Pullman, WA 99164 USA

[2] Skolkovo Innovat Ctr, Skolkovo Inst Sci & Technol, 3 Nobel St, Moscow 143026, Russia

[3] Moscow Inst Phys & Technol, 9 Inst Skiy Lane, Dolgoprudnyi 141700, Russia

[4] Northwestern Polytech Univ, Int Ctr Mat Discovery, Xian 710072, Shaanxi, Peoples R China

[5] Sun Yat Sen Univ, Sino French Inst Nucl Engn & Technol, Guangzhou 519082, Peoples R China

[6] Nankai Univ, Key Lab Weak Light Nonlinear Photon, Tianjin 300071, Peoples R China

[7] Nankai Univ, Sch Phys, Tianjin 300071, Peoples R China

[8] Guangdong Univ Technol, Sch Phys & Optoelect Engn, Guangzhou 510006, Peoples R China

[9] SUNY Stony Brook, Ctr Mat Design, Dept Geosci, Stony Brook, NY 11794 USA

[10] SUNY Stony Brook, Inst Adv Computat Sci, Stony Brook, NY 11794 USA

来源：

PHYSICAL REVIEW B | 2020年 / 101卷 / 13期

基金：

俄罗斯科学基金会;

关键词：

TRANSITION-TEMPERATURE; METALLIC HYDROGEN; PHASE-DIAGRAM; HYDRIDES; LANTHANUM; EQUATION; STATE;

D O I：

10.1103/PhysRevB.101.134108

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Search for stable high-pressure compounds in the Ti-H system reveals the existence of titanium hydrides with new stoichiometries, including Ibam-Ti2H5, I4/m-Ti5H13, I (4) over bar -Ti5H14, Fddd-TiH4, Immm-Ti2H13, P (1) over bar -TiH12, and C2/m-TiH22. Our calculations predict I4/mmm -> R (3) over barm and I4/mmm -> Cmma transitions in TiH and TiH2, respectively. Phonons and the electron-phonon coupling in all searched titanium hydrides are analyzed at high pressure. It is found that Immm-Ti2H13, rather than the hydrogen-richest C2/m-TiH22, exhibits the highest superconducting critical temperature T-c. The estimated T-c of Immm-Ti2H13 and C2/m-TiH22 are, respectively, 127.4-149.4 K (mu* = 0.1-0.15) at 350 GPa and 91.3-110.2 K at 250 GPa, as found by numerically solving the Eliashberg equations.

引用

页数：10

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