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.
引用
收藏
页码:35 / 43
页数:9
相关论文
共 27 条
[1]  
ANISIMOV V, 1990, IN PRESS PHYS REV B
[2]  
[Anonymous], 1984, FIELD THEORY RENORMA
[3]   THEORY OF MOTT TRANSITION - APPLICATIONS TO TRANSITION-METAL OXIDES [J].
CYROT, M .
JOURNAL DE PHYSIQUE, 1972, 33 (01) :125-&
[4]  
Doniach S., 1974, GREENS FUNCTIONS SOL
[5]   THEORY AND PROPERTIES OF RANDOMLY DISORDERED CRYSTALS AND RELATED PHYSICAL SYSTEMS [J].
ELLIOTT, RJ ;
KRUMHANS.JA ;
LEATH, PL .
REVIEWS OF MODERN PHYSICS, 1974, 46 (03) :465-543
[6]   NATURE OF THE LIQUID-VAPOR INTERFACE AND OTHER TOPICS IN THE STATISTICAL-MECHANICS OF NONUNIFORM, CLASSICAL FLUIDS [J].
EVANS, R .
ADVANCES IN PHYSICS, 1979, 28 (02) :143-200
[7]   THE MODERN THEORY OF ALLOYS [J].
FAULKNER, JS .
PROGRESS IN MATERIALS SCIENCE, 1982, 27 (1-2) :1-+
[8]   A 1ST-PRINCIPLES THEORY OF FERROMAGNETIC PHASE-TRANSITIONS IN METALS [J].
GYORFFY, BL ;
PINDOR, AJ ;
STAUNTON, J ;
STOCKS, GM ;
WINTER, H .
JOURNAL OF PHYSICS F-METAL PHYSICS, 1985, 15 (06) :1337-1386
[9]  
GYORFFY BL, 1979, ELECTRONS DISORDERED, V42, P89