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http://elar.urfu.ru/handle/10995/102377
Полная запись метаданных
Поле DC | Значение | Язык |
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dc.contributor.author | Shorikov, A. O. | en |
dc.contributor.author | Lukoyanov, A. V. | en |
dc.contributor.author | Anisimov, V. I. | en |
dc.contributor.author | Savrasov, S. Y. | en |
dc.date.accessioned | 2021-08-31T15:03:24Z | - |
dc.date.available | 2021-08-31T15:03:24Z | - |
dc.date.issued | 2015 | - |
dc.identifier.citation | Pressure-driven metal-insulator transition in BiFeO3 from dynamical mean-field theory / A. O. Shorikov, A. V. Lukoyanov, V. I. Anisimov, et al. — DOI 10.1103/PhysRevB.92.035125 // Physical Review B - Condensed Matter and Materials Physics. — 2015. — Vol. 92. — Iss. 3. — 035125. | en |
dc.identifier.issn | 10980121 | - |
dc.identifier.other | Final | 2 |
dc.identifier.other | All Open Access, Green | 3 |
dc.identifier.other | https://www.scopus.com/inward/record.uri?eid=2-s2.0-84937921605&doi=10.1103%2fPhysRevB.92.035125&partnerID=40&md5=565e527d20dd75ce5d7b72096fbdbe32 | |
dc.identifier.other | http://arxiv.org/pdf/1503.00470 | m |
dc.identifier.uri | http://elar.urfu.ru/handle/10995/102377 | - |
dc.description.abstract | A metal-insulator transition (MIT) in BiFeO3 under pressure was investigated by a method combining generalized gradient corrected local density approximation with dynamical mean-field theory (GGA+DMFT). Our paramagnetic calculations are found to be in agreement with the experimental phase diagram: Magnetic and spectral properties of BiFeO3 at ambient and high pressures were calculated for three experimental crystal structures R3c, Pbnm, and Pm3¯m. At ambient pressure in the R3c phase, an insulating gap of 1.2 eV was obtained in good agreement with its experimental value. Both R3c and Pbnm phases have a metal-insulator transition that occurs simultaneously with a high-spin (HS) to low-spin (LS) transition. The critical pressure for the Pbnm phase is 25-33 GPa, which agrees well with the experimental observations. The high-pressure and -temperature Pm3¯m phase exhibits a metallic behavior observed experimentally as well as in our calculations in the whole range of considered pressures and undergoes the LS state at 33 GPa, where a Pbnm to Pm3¯m transition is experimentally observed. The antiferromagnetic GGA+DMFT calculations carried out for the Pbnm structure result in simultaneous MIT and HS-LS transitions at a critical pressure of 43 GPa in agreement with the experimental data. ©2015 American Physical Society. | en |
dc.format.mimetype | application/pdf | en |
dc.language.iso | en | en |
dc.publisher | American Physical Society | en |
dc.rights | info:eu-repo/semantics/openAccess | en |
dc.source | Phys. Rev. B Condens. Matter Mater. Phys. | 2 |
dc.source | Physical Review B - Condensed Matter and Materials Physics | en |
dc.title | Pressure-driven metal-insulator transition in BiFeO3 from dynamical mean-field theory | en |
dc.type | Article | en |
dc.type | info:eu-repo/semantics/article | en |
dc.type | info:eu-repo/semantics/publishedVersion | en |
dc.identifier.doi | 10.1103/PhysRevB.92.035125 | - |
dc.identifier.scopus | 84937921605 | - |
local.contributor.employee | Shorikov, A.O., M.N. Miheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620137, Russian Federation, Russia and Ural Federal University, Yekaterinburg, 620002, Russian Federation | |
local.contributor.employee | Lukoyanov, A.V., M.N. Miheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620137, Russian Federation, Russia and Ural Federal University, Yekaterinburg, 620002, Russian Federation | |
local.contributor.employee | Anisimov, V.I., M.N. Miheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620137, Russian Federation, Russia and Ural Federal University, Yekaterinburg, 620002, Russian Federation | |
local.contributor.employee | Savrasov, S.Y., Department of Physics, University of California, Davis, CA 95616, United States | |
local.issue | 3 | - |
local.volume | 92 | - |
dc.identifier.wos | 000357856100003 | - |
local.contributor.department | M.N. Miheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620137, Russian Federation | |
local.contributor.department | Russia and Ural Federal University, Yekaterinburg, 620002, Russian Federation | |
local.contributor.department | Department of Physics, University of California, Davis, CA 95616, United States | |
local.identifier.pure | 9221258b-1c93-438d-9efc-80ed97a12000 | uuid |
local.identifier.pure | 325560 | - |
local.description.order | 035125 | - |
local.identifier.eid | 2-s2.0-84937921605 | - |
local.identifier.wos | WOS:000357856100003 | - |
Располагается в коллекциях: | Научные публикации ученых УрФУ, проиндексированные в SCOPUS и WoS CC |
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Файл | Описание | Размер | Формат | |
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2-s2.0-84937921605.pdf | 214,69 kB | Adobe PDF | Просмотреть/Открыть |
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