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Поле DC | Значение | Язык |
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dc.contributor.author | Korotin, D. M. | en |
dc.contributor.author | Novoselov, D. | en |
dc.contributor.author | Anisimov, V. I. | en |
dc.date.accessioned | 2021-08-31T15:03:44Z | - |
dc.date.available | 2021-08-31T15:03:44Z | - |
dc.date.issued | 2014 | - |
dc.identifier.citation | Korotin D. M. Correlation effects and phonon modes softening with doping in Ba 1-xKxBiO3 / D. M. Korotin, D. Novoselov, V. I. Anisimov. — DOI 10.1088/0953-8984/26/19/195602 // Journal of Physics Condensed Matter. — 2014. — Vol. 26. — Iss. 19. — 195602. | en |
dc.identifier.issn | 9538984 | - |
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-s2.0-84899565473&doi=10.1088%2f0953-8984%2f26%2f19%2f195602&partnerID=40&md5=aa512f796a0b55fa3f3f0633d270c20b | |
dc.identifier.other | http://arxiv.org/pdf/1308.3057 | m |
dc.identifier.uri | http://elar.urfu.ru/handle/10995/102467 | - |
dc.description.abstract | The monoclinic crystal structure of the undoped BaBiO3 can be described as a cubic perovskite which is distorted by the frozen breathing and tilting phonon modes of the BiO6 octahedra. The phonon mode softening is experimentally observed (Braden et al 1996 Europhys. Lett. 34 531) in Ba1-xKxBiO3 through potassium doping followed by a transition into an ideal cubic perovskite structure at x = 0.37, close to the emergence of superconductivity. In our previous paper (Korotin et al 2012 J. Phys.: Condens. Matter 24 415603) we demonstrated that it is necessary to take into account correlation effects using the DFT+U method in Wannier functions as a basis to obtain a good agreement between the calculated and experimental values of crystal structure distortion and the energy gap in BaBiO3. In the present work, using the same method, we calculated the breathing mode phonon frequencies as a function of the potassium doping level in Ba1-xKxBiO3. The obtained frequencies are in good agreement with experimental values and the breathing mode softening with doping is reproduced, contrary to calculations made without consideration of correlation effects. We show that the cubic crystal structure becomes stable at x = 0.30 in agreement with the experimental transition to cubic perovskite at x = 0.37. The possible connections between the correlation effects, phonon mode softening and superconductivity in Ba1-xKxBiO3 are discussed. © 2014 IOP Publishing Ltd. | en |
dc.format.mimetype | application/pdf | en |
dc.language.iso | en | en |
dc.publisher | Institute of Physics Publishing | en |
dc.rights | info:eu-repo/semantics/openAccess | en |
dc.source | J Phys Condens Matter | 2 |
dc.source | Journal of Physics Condensed Matter | en |
dc.subject | CORRELATED ELECTRONS | en |
dc.subject | ELECTRON-PHONON INTERACTION | en |
dc.subject | WANNIER FUNCTIONS | en |
dc.subject | CORRELATION DETECTORS | en |
dc.subject | ELECTRON-PHONON INTERACTIONS | en |
dc.subject | PEROVSKITE | en |
dc.subject | PHONONS | en |
dc.subject | POTASSIUM | en |
dc.subject | CORRELATED ELECTRONS | en |
dc.subject | CORRELATION EFFECT | en |
dc.subject | CUBIC CRYSTAL STRUCTURES | en |
dc.subject | EXPERIMENTAL VALUES | en |
dc.subject | MONOCLINIC CRYSTAL STRUCTURE | en |
dc.subject | PHONON FREQUENCIES | en |
dc.subject | STRUCTURE DISTORTIONS | en |
dc.subject | WANNIER FUNCTIONS | en |
dc.subject | CRYSTAL STRUCTURE | en |
dc.title | Correlation effects and phonon modes softening with doping in Ba 1-xKxBiO3 | en |
dc.type | Article | en |
dc.type | info:eu-repo/semantics/article | en |
dc.type | info:eu-repo/semantics/publishedVersion | en |
dc.identifier.doi | 10.1088/0953-8984/26/19/195602 | - |
dc.identifier.scopus | 84899565473 | - |
local.contributor.employee | Korotin, D.M., Institute of Metal Physics, S. Kovalevskoy St. 18, 620990 Yekaterinburg, Russian Federation | |
local.contributor.employee | Novoselov, D., Institute of Metal Physics, S. Kovalevskoy St. 18, 620990 Yekaterinburg, Russian Federation, Ural Federal University, Mira St. 19, 620002 Yekaterinburg, Russian Federation | |
local.contributor.employee | Anisimov, V.I., Institute of Metal Physics, S. Kovalevskoy St. 18, 620990 Yekaterinburg, Russian Federation, Ural Federal University, Mira St. 19, 620002 Yekaterinburg, Russian Federation | |
local.issue | 19 | - |
local.volume | 26 | - |
local.contributor.department | Institute of Metal Physics, S. Kovalevskoy St. 18, 620990 Yekaterinburg, Russian Federation | |
local.contributor.department | Ural Federal University, Mira St. 19, 620002 Yekaterinburg, Russian Federation | |
local.identifier.pure | 374166 | - |
local.identifier.pure | e273de85-f092-4586-96e8-ae8c01a79769 | uuid |
local.description.order | 195602 | - |
local.identifier.eid | 2-s2.0-84899565473 | - |
local.identifier.pmid | 24762658 | - |
Располагается в коллекциях: | Научные публикации ученых УрФУ, проиндексированные в SCOPUS и WoS CC |
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2-s2.0-84899565473.pdf | 174,94 kB | Adobe PDF | Просмотреть/Открыть |
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