High-Pressure Phase Stability and Superconductivity of Pnictogen Hydrides and Chemical Trends for Compressed Hydrides
Yuhao Fu,Xiangpo Du,Lijun Zhang,Feng Peng,Miao Zhang,Chris J. Pickard,Richard J. Needs,David J. Singh,Weitao Zheng,Yanming Ma +9 more
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In this article, the authors reported the prediction of high temperature superconductivity in the family of pnictogen hydrides using first-principles calculations in combination with global optimization structure searching methods.Abstract:
The recent breakthrough discovery of unprecedentedly high temperature superconductivity of 203 K in compressed sulfur hydrides has stimulated significant interest in finding new hydrogen-containing superconductors and elucidating the physical and chemical principles that govern these materials and their superconductivity. Here we report the prediction of high temperature superconductivity in the family of pnictogen hydrides using first-principles calculations in combination with global optimization structure searching methods. The hitherto unknown high-pressure phase diagrams of binary hydrides formed by the pnictogens of phosphorus, arsenic, and antimony are explored, stable structures are identified, and their electronic, vibrational, and superconducting properties are investigated. We predict that SbH4 and AsH8 are high-temperature superconductors at megabar pressures, with critical temperatures in excess of 100 K. The highly symmetrical hexagonal SbH4 phase is predicted to be stabilized above about 15...read more
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Hydrogen Clathrate Structures in Rare Earth Hydrides at High Pressures: Possible Route to Room-Temperature Superconductivity.
TL;DR: It is found that high-temperature superconductivity is closely associated with H clathrate structures, with large H-derived electronic densities of states at the Fermi level and strong electron-phonon coupling related to the stretching and rocking motions of H atoms within the cages.
Journal ArticleDOI
Materials discovery at high pressures
TL;DR: Recently developed static and dynamic high-pressure experimental techniques have led to the synthesis of many functional materials with excellent performance: for example, superconductors, superhard materials and high-energy-density materials.
Journal ArticleDOI
A perspective on conventional high-temperature superconductors at high pressure: Methods and materials
TL;DR: In this paper, the authors provide an up-to-date compendium of the available results on superconducting hydrides and explain how the synergy of different methodologies led to extraordinary discoveries in the field.
Journal ArticleDOI
Route to a Superconducting Phase above Room Temperature in Electron-Doped Hydride Compounds under High Pressure
TL;DR: This work identifies an alternative clathrate structure in ternary Li_{2}MgH_{16} with a remarkably high estimated T_{c} of ∼473 K at 250 GPa, which may allow us to obtain room-tem temperature or even higher-temperature superconductivity.
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Superconductivity in sodalite-like yttrium hydride clathrates
TL;DR: In this paper, the Coulomb screening was used to find almost isotropic superconducting gaps, resulting from a uniform distribution of the coupling over states of both Y and H sublattices.
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