Indications of weak electronic correlations in SrRuO3 from first-principles calculations

被引：40

作者：

Etz, C. ^{[1
,2
]}

Maznichenko, I. V. ^{[3
]}

Boettcher, D. ^{[1
]}

Henk, J. ^{[3
]}

Yaresko, A. N. ^{[4
]}

Hergert, W. ^{[3
]}

Mazin, I. I. ^{[5
]}

Mertig, I. ^{[1
,3
]}

Ernst, A. ^{[1
]}

机构：

[1] Max Planck Inst Mikrostrukturphys, D-06120 Halle, Germany

[2] Uppsala Univ, Dept Phys & Astron, S-75120 Uppsala, Sweden

[3] Univ Halle Wittenberg, Inst Phys, D-06099 Halle, Germany

[4] Max Planck Inst Festkorperforsch, D-70569 Stuttgart, Germany

[5] USN, Res Lab, Washington, DC USA

来源：

PHYSICAL REVIEW B | 2012年 / 86卷 / 06期

关键词：

MAGNETIC-PROPERTIES;

D O I：

10.1103/PhysRevB.86.064441

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We provide, by a detailed first-principles investigation, evidence for weak electronic correlations in SrRuO3. The magnetism in SrRuO3, in terms of the equilibrium magnetization and critical temperature, is well described by the generalized gradient approximation. Including Hubbard-type correlations results in worse agreement with experiment.

引用

页数：5

共 30 条

[1] BAND THEORY AND MOTT INSULATORS - HUBBARD-U INSTEAD OF STONER-I [J].

ANISIMOV, VI ;

ZAANEN, J ;

ANDERSEN, OK .

PHYSICAL REVIEW B, 1991, 44 (03) :943-954

[2] Electrical and magnetic properties of the complete solid solution series between SrRuO3 and LaRhO3: Filling t2g versus tilting [J].

Barton, Phillip T. ;

Seshadri, Ram ;

Rosseinsky, Matthew J. .

PHYSICAL REVIEW B, 2011, 83 (06)

[3]

Binder K., 2012, MONTE CARLO METHODS

[4] Evidence for the band ferromagnetism in SrRuO3 from neutron diffraction [J].

Bushmeleva, S. N. ;

Pomjakushin, V. Yu. ;

Pomjakushina, E. V. ;

Sheptyakov, D. V. ;

Balagurov, A. M. .

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2006, 305 (02) :491-496

[5] Thermal, magnetic, and transport properties of single-crystal Sr1-xCaxRuO3 (0<=x<=1.0) [J].

Cao, G ;

McCall, S ;

Shepard, M ;

Crow, JE ;

Guertin, RP .

PHYSICAL REVIEW B, 1997, 56 (01) :321-329

[6] Exchange coupling in transition metal monoxides: Electronic structure calculations [J].

Fischer, Guntram ;

Daene, Markus ;

Ernst, Arthur ;

Bruno, Patrick ;

Lueders, Martin ;

Szotek, Zdzislawa ;

Temmerman, Walter ;

Hergert, Wolfram .

PHYSICAL REVIEW B, 2009, 80 (01)

[7] Spin Wave Dispersion on the Nanometer Scale [J].

Gao, C. L. ;

Ernst, A. ;

Fischer, G. ;

Hergert, W. ;

Bruno, P. ;

Wulfhekel, W. ;

Kirschner, J. .

PHYSICAL REVIEW LETTERS, 2008, 101 (16)

[8] Lanthanide contraction and magnetism in the heavy rare earth elements [J].

Hughes, I. D. ;

Daene, M. ;

Ernst, A. ;

Hergert, W. ;

Lueders, M. ;

Poulter, J. ;

Staunton, J. B. ;

Svane, A. ;

Szotek, Z. ;

Temmerman, W. M. .

NATURE, 2007, 446 (7136) :650-653

[9] LDA plus DMFT study of Ru-based perovskite SrRuO3 and CaRuO3 [J].

Jakobi, E. ;

Kanungo, S. ;

Sarkar, S. ;

Schmitt, S. ;

Saha-Dasgupta, T. .

PHYSICAL REVIEW B, 2011, 83 (04)

[10] Orbital ordering and Jahn-Teller distortion in perovskite ruthenate SrRuO3 [J].

Jeng, Horng-Tay ;

Lin, Shi-Hsin ;

Hsue, Chen-Shiung .

PHYSICAL REVIEW LETTERS, 2006, 97 (06)

← 1 2 3 →