Ushakov, A., V, Streltsov, S., V and Khomskii, D., I (2019). Structural transition in AuAgTe4 under pressure. J. Phys.-Condes. Matter, 31 (23). BRISTOL: IOP PUBLISHING LTD. ISSN 1361-648X
Full text not available from this repository.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 Te-6 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 P-C similar to 5 GPa there should occur in it a structural transition such that above this critical pressure Te-6 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 P-C.
Item Type: | Journal Article | ||||||||||||||||
Creators: |
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URN: | urn:nbn:de:hbz:38-137876 | ||||||||||||||||
DOI: | 10.1088/1361-648X/ab0b8a | ||||||||||||||||
Journal or Publication Title: | J. Phys.-Condes. Matter | ||||||||||||||||
Volume: | 31 | ||||||||||||||||
Number: | 23 | ||||||||||||||||
Date: | 2019 | ||||||||||||||||
Publisher: | IOP PUBLISHING LTD | ||||||||||||||||
Place of Publication: | BRISTOL | ||||||||||||||||
ISSN: | 1361-648X | ||||||||||||||||
Language: | English | ||||||||||||||||
Faculty: | Unspecified | ||||||||||||||||
Divisions: | Unspecified | ||||||||||||||||
Subjects: | no entry | ||||||||||||||||
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Refereed: | Yes | ||||||||||||||||
URI: | http://kups.ub.uni-koeln.de/id/eprint/13787 |
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