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Hydrogen Pentagraphenelike Structure Stabilized by Hafnium: A High-Temperature Conventional Superconductor.

Accepted version
Peer-reviewed

Type

Article

Change log

Authors

Xie, Hui 
Yao, Yansun 
Feng, Xiaolei 
Duan, Defang 
Song, Hao 

Abstract

The recent discovery of H_{3}S and LaH_{10} superconductors with record high superconducting transition temperatures T_{c} at high pressure has fueled the search for room-temperature superconductivity in the compressed superhydrides. Here we introduce a new class of high T_{c} hydrides with a novel structure and unusual properties. We predict the existence of an unprecedented hexagonal HfH_{10}, with remarkably high value of T_{c} (around 213-234 K) at 250 GPa. As concerns the novel structure, the H ions in HfH_{10} are arranged in clusters to form a planar "pentagraphenelike" sublattice. The layered arrangement of these planar units is entirely different from the covalent sixfold cubic structure in H_{3}S and clathratelike structure in LaH_{10}. The Hf atom acts as a precompressor and electron donor to the hydrogen sublattice. This pentagraphenelike H_{10} structure is also found in ZrH_{10}, ScH_{10}, and LuH_{10} at high pressure, each material showing a high T_{c} ranging from 134 to 220 K. Our study of dense superhydrides with pentagraphenelike layered structures opens the door to the exploration of a new class of high T_{c} superconductors.

Description

Keywords

51 Physical Sciences, 5104 Condensed Matter Physics

Journal Title

Phys Rev Lett

Conference Name

Journal ISSN

0031-9007
1079-7114

Volume Title

125

Publisher

American Physical Society (APS)

Rights

All rights reserved
Sponsorship
Royal Society (WM150023)
Engineering and Physical Sciences Research Council (EP/P022596/1)