High-temperature Superconductor of Sodalite-like Clathrate Hafnium Hexahydride

Overview

Journal Sci Rep

Specialty Science

Date 2021 Aug 13

PMID 34385486

Citations 5

Authors

Prutthipong Tsuppayakorn-Aek

Nakorn Phaisangittisakul

Rajeev Ahuja

Thiti Bovornratanaraks

Affiliations

Soon will be listed here.

Abstract

Hafnium hydrogen compounds have recently become the vibrant materials for structural prediction at high pressure, from their high potential candidate for high-temperature superconductors. In this work, we predict [Formula: see text] by exploiting the evolutionary searching. A high-pressure phase adopts a sodalite-like clathrate structure, showing the body-centered cubic structure with a space group of [Formula: see text]. The first-principles calculations have been used, including the zero-point energy, to investigate the probable structures up to 600 GPa, and find that the [Formula: see text] structure is thermodynamically and dynamically stable. This remarkable result of the [Formula: see text] structure shows the van Hove singularity at the Fermi level by determining the density of states. We calculate a superconducting transition temperature ([Formula: see text]) using Allen-Dynes equation and demonstrated that it exhibits superconductivity under high pressure with relatively high-[Formula: see text] of 132 K.

Citing Articles

Structural Features, Chemical Diversity, and Physical Properties of Microporous Sodalite-Type Materials: A Review.

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Hydrothermal synthesis of multi-cationic high-entropy layered double hydroxides.

Knorpp A, Zawisza A, Huangfu S, Borzi A, Clark A, Kata D RSC Adv. 2022; 12(40):26362-26371.

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Superconducting Gap of Pressure Stabilized (AlZr)H from Anisotropic Migdal-Eliashberg Theory.

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PMID: 35990471 PMC: 9386819. DOI: 10.1021/acsomega.2c02447.

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