CHARGE AND SPIN FLUCTUATIONS IN THE DENSITY FUNCTIONAL THEORY

被引：8

作者：

GYORFFY, BL

BARBIERI, A

STAUNTON, JB

SHELTON, WA

STOCKS, GM

机构：

[1] OAK RIDGE NATL LAB,DIV MET & CERAM,OAK RIDGE,TN 37831

[2] UNIV WARWICK,DEPT PHYS,COVENTRY CV4 7AL,W MIDLANDS,ENGLAND

来源：

PHYSICA B | 1991年 / 172卷 / 1-2期

关键词：

D O I：

10.1016/0921-4526(91)90414-A

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We introduce a conceptual framework which allows us to treat charge and spin fluctuations about the local density approximation (LDA) in to the density functional theory (DFT). We illustrate the approach by explicit study of the disordered local moment (DLM) state in Fe above the Curie temperature T(c) and the Mott insulating state in MnO.

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页码：35 / 43

页数：9

相关论文

共 27 条

[11] CALCULATION OF PARTITION FUNCTIONS [J].

HUBBARD, J .

PHYSICAL REVIEW LETTERS, 1959, 3 (02) :77-78

[12] ELECTRON CORRELATIONS IN NARROW ENERGY BANDS .2. DEGENERATE BAND CASE [J].

HUBBARD, J .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1964, 277 (1368) :237-+

[13] ELECTRON CORRELATIONS IN NARROW ENERGY BANDS .3. IMPROVED SOLUTION [J].

HUBBARD, J .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1964, 281 (1384) :401-+

[14]

HUBBARD J, 1979, PHYS REV B, V20, P4584, DOI 10.1103/PhysRevB.20.4584

[15] ELECTRON CORRELATIONS IN NARROW ENERGY BANDS [J].

HUBBARD, J .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1963, 276 (1364) :238-+

[16] MAGNETISM OF IRON [J].

HUBBARD, J .

PHYSICAL REVIEW B, 1979, 19 (05) :2626-2636

[17]

HUBER A, 1969, MATHEMATICAL METHODS, P364

[18] TOTAL-ENERGY AND PRESSURE CALCULATIONS FOR RANDOM SUBSTITUTIONAL ALLOYS [J].

JOHNSON, DD ;

NICHOLSON, DM ;

PINSKI, FJ ;

GYORFFY, BL ;

STOCKS, GM .

PHYSICAL REVIEW B, 1990, 41 (14) :9701-9716

[19]

KOHN W, 1983, THEORY INHOMOGENEOUS, P79

[20]

LANDAU D, 1980, STATISTICAL MECHANIC