Hydrogen Pentagraphenelike Structure Stabilized by Hafnium: A High-Temperature Conventional Superconductor.
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Authors
Xie, Hui
Yao, Yansun
Feng, Xiaolei
Duan, Defang
Song, Hao
Zhang, Zihan
Jiang, Shuqing
Kresin, Vladimir Z
Cui, Tian
Publication Date
2020-11-20Journal Title
Phys Rev Lett
ISSN
0031-9007
Publisher
American Physical Society (APS)
Volume
125
Issue
21
Pages
217001
Language
eng
Type
Article
This Version
AM
Physical Medium
Print
Metadata
Show full item recordCitation
Xie, H., Yao, Y., Feng, X., Duan, D., Song, H., Zhang, Z., Jiang, S., et al. (2020). Hydrogen Pentagraphenelike Structure Stabilized by Hafnium: A High-Temperature Conventional Superconductor.. Phys Rev Lett, 125 (21), 217001. https://doi.org/10.1103/PhysRevLett.125.217001
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.
Sponsorship
Royal Society (WM150023)
Engineering and Physical Sciences Research Council (EP/P022596/1)
Identifiers
External DOI: https://doi.org/10.1103/PhysRevLett.125.217001
This record's URL: https://www.repository.cam.ac.uk/handle/1810/310633
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