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

Overview

Journal ACS Omega

Publisher American Chemical Society

Specialty Chemistry

Date 2022 Aug 22

PMID 35990471

Authors

Prutthipong Tsuppayakorn-Aek

Rajeev Ahuja

Thiti Bovornratanaraks

Wei Luo

Affiliations

Soon will be listed here.

Abstract

Motivated by Matthias' sixth rule for finding new superconducting materials in a cubic symmetry, we report the cluster expansion calculations, based on the density functional theory, of the superconducting properties of AlZrH. The AlZrH structure is thermodynamically and dynamically stable up to at least 200 GPa. The structural properties suggest that the AlZrH structure is a metallic. We calculate a superconducting transition temperature using the Allen-Dynes modified McMillan equation and anisotropic Migdal-Eliashberg equation. As result of this, the anisotropic Migdal-Eliashberg equation demonstrated that it exhibits superconductivity under high pressure with relatively high- of 55.3 K at a pressure of 100 GPa among a family of simple cubic structures. Therefore, these findings suggest that superconductivity could be observed experimentally in AlZrH.

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