Microscopic origin of magnetism and magnetic interactions in ferropnictides

被引：149

作者：

Johannes, M. D. ^{[1
]}

Mazin, I. I. ^{[1
]}

机构：

[1] USN, Res Lab, Washington, DC 20375 USA

来源：

PHYSICAL REVIEW B | 2009年 / 79卷 / 22期

关键词：

barium compounds; Fermi surface; iron compounds; magnetic moments; metal-insulator transition; spin-Peierls transition; superexchange interactions; PNICTIDES;

D O I：

10.1103/PhysRevB.79.220510

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

One year after their initial discovery, two schools of thought have crystallized regarding the electronic structure and magnetic properties of ferropnictide systems. One postulates that these are itinerant weakly correlated metallic systems that become magnetic by virtue of spin-Peierls-type transition due to near nesting between the hole and the electron Fermi-surface pockets. The other argues that these materials are strongly or at least moderately correlated and the electrons are considerably localized and close to a Mott-Hubbard transition, with the local magnetic moments interacting via short-range superexchange. In this Rapid Communication we argue that neither picture is fully correct. The systems are moderately correlated but with correlations driven by Hund's rule coupling rather than by the on-site Hubbard repulsion. The iron moments are largely local, driven by Hund's intra-atomic exchange. Superexchange is not operative, and the interactions between the Fe moments are considerably long range and driven mostly by one-electron energies of all occupied states.

引用

收藏

页数：4

相关论文

共 22 条

[1] Strength of correlations in pnictides and its assessment by theoretical calculations and spectroscopy experiments [J].

Anisimov, V. I. ;

Kurmaev, E. Z. ;

Moewes, A. ;

Izyumov, I. A. .

PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS, 2009, 469 (9-12) :442-447

[2] Coulomb repulsion and correlation strength in LaFeAsO from density functional and dynamical mean-field theories [J].

Anisimov, V. I. ;

Korotin, Dm M. ;

Korotin, M. A. ;

Kozhevnikov, A. V. ;

Kunes, J. ;

Shorikov, A. O. ;

Skornyakov, S. L. ;

Streltsov, S. V. .

JOURNAL OF PHYSICS-CONDENSED MATTER, 2009, 21 (07)

[3] Role of covalent Fe-As bonding in the magnetic moment formation and exchange mechanisms in iron-pnictide superconductors [J].

Belashchenko, K. D. ;

Antropov, V. P. .

PHYSICAL REVIEW B, 2008, 78 (21)

[4] PROJECTOR AUGMENTED-WAVE METHOD [J].

BLOCHL, PE .

PHYSICAL REVIEW B, 1994, 50 (24) :17953-17979

[5] Evidence for Strong Itinerant Spin Fluctuations in the Normal State of CeFeAsO0.89F0.11 Iron-Oxypnictide Superconductors [J].

Bondino, F. ;

Magnano, E. ;

Malvestuto, M. ;

Parmigiani, F. ;

McGuire, M. A. ;

Sefat, A. S. ;

Sales, B. C. ;

Jin, R. ;

Mandrus, D. ;

Plummer, E. W. ;

Singh, D. J. ;

Mannella, N. .

PHYSICAL REVIEW LETTERS, 2008, 101 (26)

[6] Competing orders and spin-density-wave instability in La(O1-xFx) FeAs [J].

Dong, J. ;

Zhang, H. J. ;

Xu, G. ;

Li, Z. ;

Li, G. ;

Hu, W. Z. ;

Wu, D. ;

Chen, G. F. ;

Dai, X. ;

Luo, J. L. ;

Fang, Z. ;

Wang, N. L. .

EPL, 2008, 83 (02)

[7] Strong coupling between magnetic and structural order parameters in SrFe2As2 [J].

Jesche, A. ;

Caroca-Canales, N. ;

Rosner, H. ;

Borrmann, H. ;

Ormeci, A. ;

Kasinathan, D. ;

Klauss, H. H. ;

Luetkens, H. ;

Khasanov, R. ;

Amato, A. ;

Hoser, A. ;

Kaneko, K. ;

Krellner, C. ;

Geibel, C. .

PHYSICAL REVIEW B, 2008, 78 (18)

[8] Fermi surface nesting and the origin of charge density waves in metals [J].

Johannes, M. D. ;

Mazin, I. I. .

PHYSICAL REVIEW B, 2008, 77 (16)

[9] Pseudogap Value in the Energy Spectrum of LaOFeAs: a Fixed Spin Moment Treatment [J].

Korotin, M. A. ;

Streltsov, S. V. ;

Shorikov, A. O. ;

Anisimov, V. I. .

JOURNAL OF EXPERIMENTAL AND THEORETICAL PHYSICS, 2008, 107 (04) :649-652

[10] Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set [J].

Kresse, G ;

Furthmuller, J .

PHYSICAL REVIEW B, 1996, 54 (16) :11169-11186