Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/101774
Title: Structural transition in AuAgTe4 under pressure
Authors: Ushakov, A. V.
Streltsov, S. V.
Khomskii, D. I.
Issue Date: 2019
Publisher: Institute of Physics Publishing
Citation: Ushakov A. V. Structural transition in AuAgTe4 under pressure / A. V. Ushakov, S. V. Streltsov, D. I. Khomskii. — DOI 10.1088/1361-648X/ab0b8a // Journal of Physics Condensed Matter. — 2019. — Vol. 31. — Iss. 23. — 235601.
Abstract: Gold is inert and forms very few compounds. One of the most interesting of those is calaverite AuTe2, which has incommensurate structure and which becomes superconducting when doped or under pressure. There exist a 'sibling' of AuTe2, the mineral sylvanite AuAgTe4, which properties are almost unknown. In sylvanite Au and Ag ions are ordered in stripes, and Te6 octahedra around metals are distorted in such a way that Ag becomes linearly coordinated, what is typical for Ag1+ , whereas Au is square coordinated - it is typical for d 8 configurations, i.e. one can assign to Au the valence 3+. Our theoretical study shows that at pressure GPa there should occur in it a structural transition such that above this critical pressure Te6 octahedra around Au and Ag become regular and practically identical. Simultaneously Te-Te dimers, existing at P = 0 GPa, disappear, and material from a bad metal becomes a usual metal with predominantly Te 5p states at the Fermi energy. We expect that, similar to AuTe2, AuAgTe4 should become superconducting above . © 2019 IOP Publishing Ltd.
Keywords: ELECTRONIC STRUCTURE
HIGH-PRESSURE PHASE
STRUCTURAL TRANSITION
SYLVANITE
ELECTRONIC STRUCTURE
GOLD
GOLD COMPOUNDS
SILVER
BAD METALS
CRITICAL PRESSURES
HIGH-PRESSURE PHASE
INCOMMENSURATE STRUCTURE
STRUCTURAL TRANSITIONS
SYLVANITE
THEORETICAL STUDY
TELLURIUM COMPOUNDS
URI: http://hdl.handle.net/10995/101774
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85064723151
PURE ID: 9314552
ISSN: 9538984
DOI: 10.1088/1361-648X/ab0b8a
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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