Thomas-Fermi screening of exchange interactions

被引：15

作者：

Brooks, MSS ^{[1
]}

机构：

[1] Commiss European Communities, Joint Res Ctr, Inst Transuranium Elements, D-76125 Karlsruhe, Germany

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2001年 / 13卷 / 22期

关键词：

D O I：

10.1088/0953-8984/13/22/104

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Exchange integrals for a screened Coulomb interaction of the Yukawa form with the Thomas-Fermi wave vector expressed in terms of the total electron density are calculated for transition metal, rare-earth and actinide atoms. The calculated exchange interactions are in remarkable agreement with those obtained from the local spin-density approximation.

引用

页码：L469 / L473

页数：5

共 28 条

[1] DENSITY-FUNCTIONAL CALCULATION OF EFFECTIVE COULOMB INTERACTIONS IN METALS [J].

ANISIMOV, VI ;

GUNNARSSON, O .

PHYSICAL REVIEW B, 1991, 43 (10) :7570-7574

[2] First-principles calculations of the electronic structure and spectra of strongly correlated systems: The LDA+U method [J].

Anisimov, VI ;

Aryasetiawan, F ;

Lichtenstein, AI .

JOURNAL OF PHYSICS-CONDENSED MATTER, 1997, 9 (04) :767-808

[3] Self-interaction free relativistic local spin density approximation: Equivalent of Hund's rules in gamma-Ce [J].

Beiden, SV ;

Temmerman, WM ;

Szotek, Z ;

Gehring, GA .

PHYSICAL REVIEW LETTERS, 1997, 79 (20) :3970-3973

[4] THEORY OF THE CURIE TEMPERATURES OF THE RARE-EARTH-METALS [J].

BROOKS, MSS ;

AULUCK, S ;

GASCHE, T ;

TRYGG, J ;

NORDSTROM, L ;

SEVERIN, L ;

JOHANSSON, B .

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 1992, 104 (pt 3) :1496-1498

[5] EXCHANGE INTEGRAL MATRICES AND COHESIVE ENERGIES OF TRANSITION-METAL ATOMS [J].

BROOKS, MSS ;

JOHANSSON, B .

JOURNAL OF PHYSICS F-METAL PHYSICS, 1983, 13 (10) :L197-L202

[6]

BROOKS MSS, 1993, DENSITY FUNCTIONAL T, V7, P139

[7] A statistical Method for Determining some Properties of the Atoms and its Application to the Theory of the periodic Table of Elements [J].

Fermi, E. .

ZEITSCHRIFT FUR PHYSIK, 1928, 48 (1-2) :73-79

[8] TOTAL-ENERGY DIFFERENCES - SOURCES OF ERROR IN LOCAL-DENSITY APPROXIMATIONS [J].

GUNNARSSON, O ;

JONES, RO .

PHYSICAL REVIEW B, 1985, 31 (12) :7588-7602

[9] BAND MAGNETISM IN SPIN-DENSITY-FUNCTIONAL FORMALISM [J].

GUNNARSSON, O .

JOURNAL OF APPLIED PHYSICS, 1978, 49 (03) :1399-1404

[10] BAND MODEL FOR MAGNETISM OF TRANSITION-METALS IN SPIN-DENSITY FUNCTIONAL FORMALISM [J].

GUNNARSSON, O .

JOURNAL OF PHYSICS F-METAL PHYSICS, 1976, 6 (04) :587-606

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