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Title: Dimerization in Honeycomb Na2RuO3 under Pressure: a DFT Study
Authors: Gazizova, D. D.
Ushakov, A. V.
Streltsov, S. V.
Issue Date: 2018
Publisher: Pleiades Publishing
Citation: Gazizova D. D. Dimerization in Honeycomb Na2RuO3 under Pressure: a DFT Study / D. D. Gazizova, A. V. Ushakov, S. V. Streltsov. — DOI 10.1134/S0021364018080015 // JETP Letters. — 2018. — Vol. 107. — Iss. 8. — P. 483-487.
Abstract: The structural properties of Na2RuO3 under pressure are studied using density functional theory within the nonmagnetic generalized gradient approximation (GGA). We found that one may expect a structural transition at ∼3 GPa. This structure at the high-pressure phase is exactly the same as the low-temperature structure of Li2RuO3 (at ambient pressure) and is characterized by the P21/m space group. Ru ions form dimers in this phase and one may expect strong modification of the electronic and magnetic properties in Na2RuO3 at pressure higher than 3 GPa. © 2018, Pleiades Publishing, Inc.
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85045423066
PURE ID: 7640694
ISSN: 213640
DOI: 10.1134/S0021364018080015
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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