Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/101564
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dc.contributor.authorChtchelkatchev, N. M.en
dc.contributor.authorMagnitskaya, M. V.en
dc.contributor.authorTsvyashchenko, A. V.en
dc.date.accessioned2021-08-31T14:58:12Z-
dc.date.available2021-08-31T14:58:12Z-
dc.date.issued2020-
dc.identifier.citationChtchelkatchev N. M. Ab initio study of noncentrosymmetric transition-metal monogermanide B20-RhGe synthesized at high temperature and pressure / N. M. Chtchelkatchev, M. V. Magnitskaya, A. V. Tsvyashchenko. — DOI 10.1140/epjst/e2019-900114-y // European Physical Journal: Special Topics. — 2020. — Vol. 229. — Iss. 2-3. — P. 167-178.en
dc.identifier.issn19516355-
dc.identifier.otherFinal2
dc.identifier.otherAll Open Access, Green3
dc.identifier.otherhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85079187574&doi=10.1140%2fepjst%2fe2019-900114-y&partnerID=40&md5=427d82a5792d38588d2f660f6657273f
dc.identifier.otherhttp://arxiv.org/pdf/1906.07278m
dc.identifier.urihttp://hdl.handle.net/10995/101564-
dc.description.abstractWe present ab initio density-functional study of the noncentrosymmetric B20-type phase of RhGe, which is not found in nature and can be synthesized only at extreme pressures and temperatures. The structural, thermodynamic, electronic, lattice-dynamical, and transport properties of B20-RhGe are calculated, and their evolution with increasing pressure is traced. The temperature dependence of the charge and heat transport properties is evaluated within the semi-classical Boltzmann approach. Using the quasi-harmonic approximation, we determine the range of pressures and temperatures, in which B20-RhGe is stable, and make recommendations for optimizing the synthesis conditions in order to reduce the number of defects that occur in a sample during solidification. © 2020, EDP Sciences, Springer-Verlag GmbH Germany, part of Springer Nature.en
dc.format.mimetypeapplication/pdfen
dc.language.isoenen
dc.publisherSpringeren
dc.rightsinfo:eu-repo/semantics/openAccessen
dc.sourceEur. Phys. J.: Spec. Top.2
dc.sourceEuropean Physical Journal: Special Topicsen
dc.titleAb initio study of noncentrosymmetric transition-metal monogermanide B20-RhGe synthesized at high temperature and pressureen
dc.typeArticleen
dc.typeinfo:eu-repo/semantics/articleen
dc.typeinfo:eu-repo/semantics/publishedVersionen
dc.identifier.doi10.1140/epjst/e2019-900114-y-
dc.identifier.scopus85079187574-
local.contributor.employeeChtchelkatchev, N.M., Vereshchagin Institute for High Pressure Physics, Russian Academy of Sciences, Troitsk, Moscow, 108840, Russian Federation, Moscow Institute of Physics and Technology, Dolgoprudny, Moscow Region, 141700, Russian Federation, Ural Federal University, Ekaterinburg, 620002, Russian Federation
local.contributor.employeeMagnitskaya, M.V., Vereshchagin Institute for High Pressure Physics, Russian Academy of Sciences, Troitsk, Moscow, 108840, Russian Federation, Lebedev Physical Institute, Russian Academy of Sciences, Moscow, 119991, Russian Federation
local.contributor.employeeTsvyashchenko, A.V., Vereshchagin Institute for High Pressure Physics, Russian Academy of Sciences, Troitsk, Moscow, 108840, Russian Federation
local.description.firstpage167-
local.description.lastpage178-
local.issue2-3-
local.volume229-
local.contributor.departmentVereshchagin Institute for High Pressure Physics, Russian Academy of Sciences, Troitsk, Moscow, 108840, Russian Federation
local.contributor.departmentMoscow Institute of Physics and Technology, Dolgoprudny, Moscow Region, 141700, Russian Federation
local.contributor.departmentUral Federal University, Ekaterinburg, 620002, Russian Federation
local.contributor.departmentLebedev Physical Institute, Russian Academy of Sciences, Moscow, 119991, Russian Federation
local.identifier.pure12247840-
local.identifier.pure94cd33e0-4b56-428a-9083-1d811c3f7c70uuid
local.identifier.eid2-s2.0-85079187574-
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