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Результаты исследований: Вклад в журнал › Статья › Рецензирование
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TY - JOUR
T1 - Orbital Selective Localization Enhancement in Ca2 – xSrxRuO4
AU - Shorikov, A. O.
AU - Novoselov, D. Y.
AU - Korotin, D. M.
AU - Anisimov, V. I.
N1 - This work was supported by of the Ministry of Science and Higher Education of the Russian Federation (state assignment no. 122021000039-4, theme Electron, DFT calculations) and by the Russian Science Foundation (project no. 19-12-00012, DMFT calculations).
PY - 2022
Y1 - 2022
N2 - The combination of density functional theory with dynamic mean field theory (DFT + DMFT) was applied for the investigation of the magnetic properties of Ca2 –xSrxRuO4. We found that crystal structure distortion results in orbital-selective enhancement of the degree of localization of Ru d-electrons. The electron lifetime on dxy and dxz,yz orbitals differs by ≈5–6 times confirming the model of orbital-selective Mott transition. The change in the Hund exchange parameter JH from 0.5 to 0.9 eV for doping x = 0.5 increases localization degree by ≈3 times but does not destroy orbital-selective behavior which manifests itself more distinctly for smaller JH value. © 2022, Pleiades Publishing, Inc.
AB - The combination of density functional theory with dynamic mean field theory (DFT + DMFT) was applied for the investigation of the magnetic properties of Ca2 –xSrxRuO4. We found that crystal structure distortion results in orbital-selective enhancement of the degree of localization of Ru d-electrons. The electron lifetime on dxy and dxz,yz orbitals differs by ≈5–6 times confirming the model of orbital-selective Mott transition. The change in the Hund exchange parameter JH from 0.5 to 0.9 eV for doping x = 0.5 increases localization degree by ≈3 times but does not destroy orbital-selective behavior which manifests itself more distinctly for smaller JH value. © 2022, Pleiades Publishing, Inc.
UR - http://www.scopus.com/inward/record.url?partnerID=8YFLogxK&scp=85142931264
UR - https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=tsmetrics&SrcApp=tsm_test&DestApp=WOS_CPL&DestLinkType=FullRecord&KeyUT=000890112300002
UR - https://elibrary.ru/item.asp?id=59831025
U2 - 10.1134/S0021364022602391
DO - 10.1134/S0021364022602391
M3 - Article
VL - 116
SP - 798
EP - 803
JO - JETP Letters
JF - JETP Letters
SN - 0021-3640
IS - 11
ER -
ID: 33991086