Crystal Structure of Gold Hydride

TL;DR

This paper investigates the crystal structure of gold hydride, proposing a tetragonal structure similar to mercury, and discusses its stability based on Fermi sphere-Brillouin zone interactions.

Contribution

It introduces a proposed crystal structure for gold hydride and analyzes its stability using electronic structure models, expanding understanding of metal hydrides.

Findings

Proposed a tetragonal body-centered structure for AuH

Compared AuH structure to mercury's crystal structure

Discussed stability based on Fermi sphere-Brillouin zone interactions

Abstract

A number of transition metal hydrides with close-packed metal sublattices of fcc or hcp structures with hydrogen in octahedral interstitial positions were obtained by the high-pressure hydrogen technique described by Ponyatovskii et al, Sov. Phys. Usp. 25 (1982) 596. In this paper we consider volume increase of metals by hydrogenation and possible crystal structure of gold hydride in relation with the structure of mercury, the nearest neighbor of Au in the Periodic table. Suggested structure of AuH has a basic tetragonal body-centered cell that is very similar to the mercury structure Hg-tI2. The reasons of stability for this structure are discussed within the model of Fermi sphere - Brillouin zone interactions.