Orbital Selective Localization Enhancement in Ca2-xSrxRuO4

被引：2
|
作者：
Shorikov, A. O. [1 ,2 ]
Novoselov, D. Y. [1 ,2 ]
Korotin, D. M. [1 ]
Anisimov, V. I. [1 ,2 ]
机构：
[1] Russian Acad Sci, Ural Branch, MN Mikheev Inst Met Phys, Ekaterinburg 620108, Russia
[2] Ural Fed Univ, Dept Theoret Phys & Appl Math, Ekaterinburg 620002, Russia
来源：
JETP LETTERS | 2022年 / 116卷 / 11期
基金：
俄罗斯科学基金会;
关键词：
CORRELATED SYSTEMS; LAYERED PEROVSKITE; BAND-STRUCTURE; CRYSTAL; SUPERCONDUCTIVITY; TRANSITION; CA2RUO4;
D O I：
10.1134/S0021364022602391
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
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 d(xy) and d(xz, yz) orbitals differs by approximate to 5-6 times confirming the model of orbital-selective Mott transition. The change of Hund exchange parameter JH from 0.5 to 0.9 eV for doping x = 0.5 increases localization degree by approximate to 3 times but doesn't destroy orbital-selective behavior which manifests itself more distinctly for smaller J(H) value.
引用
收藏
页码：798 / 803
页数：6
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