Hidden covalent insulator and spin excitations in SrRu2O6

被引：0

作者：

Csontosova, Diana ^{[1
,2
]}

Chaloupka, Jiri ^{[1
]}

Shinaoka, Hiroshi ^{[3
]}

Hariki, Atsushi ^{[4
]}

Kunes, Jan ^{[1
,2
]}

机构：

[1] Masaryk Univ, Fac Sci, Dept Condensed Matter Phys, Kotlarska 2, Brno 61137, Czech Republic

[2] TU Wien, Inst Solid State Phys, A-1040 Vienna, Austria

[3] Saitama Univ, Dept Phys, Saitama 3388570, Japan

[4] Osaka Metropolitan Univ, Grad Sch Engn, Dept Phys & Elect, 1 1 Gakuen Cho,Naka ku, Sakai, Osaka 5998531, Japan

来源：

PHYSICAL REVIEW B | 2023年 / 108卷 / 19期

基金：

奥地利科学基金会;

关键词：

HUBBARD-MODEL; SYSTEMS; APPROXIMATION; LATTICE;

D O I：

10.1103/PhysRevB.108.195137

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The density functional plus dynamical mean-field theory is used to study the spin excitation spectra of SrRu2O6. A good quantitative agreement with experimental spin excitation spectra is found. Depending on the size of the Hund's coupling JH, the system chooses either the Mott insulator or covalent insulator state when magnetic ordering is not allowed. We find that the nature of the paramagnetic state has a negligible influence on the charge and spin excitation spectra. We find that antiferromagnetic correlations hide the covalent insulator state for realistic choices of the interaction parameters.

引用

页数：7

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