MAGNETIC-STRUCTURE OF FCC IRON

被引:121
作者
MRYASOV, ON
LIECHTENSTEIN, AI
SANDRATSKII, LM
GUBANOV, VA
机构
[1] MAX PLANCK INST FESTKORPERFORSCH,W-7000 STUTTGART 80,GERMANY
[2] ACAD SCI USSR,INST MET PHYS,SVERDLOVSK 620219,USSR
关键词
D O I
10.1088/0953-8984/3/39/013
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
A generalization of the LMTO method for the case of crystals with spiral magnetic structure is suggested. The method is used for self-consistent calculations of electronic and magnetic properties of spiral magnetic configurations of FCC iron. The atomic volumes considered cover the region of known low-spin to high-spin transitions in ferromagnetic FCC iron. The dependence of electronic properties on the spiral vector and number of valence electrons is investigated. The total energy minimum corresponds to a non-collinear magnetic structure, in accordance with recent experimental data.
引用
收藏
页码:7683 / 7690
页数:8
相关论文
共 21 条
  • [1] GROUND-STATES OF CONSTRAINED SYSTEMS - APPLICATION TO CERIUM IMPURITIES
    DEDERICHS, PH
    BLUGEL, S
    ZELLER, R
    AKAI, H
    [J]. PHYSICAL REVIEW LETTERS, 1984, 53 (26) : 2512 - 2515
  • [2] FERROMAGNETIC ORDERING IN FCC GAMMA-FE PRECIPITATES IN CU-AU ALLOYS
    GONSER, U
    KRISCHEL, K
    NASU, S
    [J]. JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 1980, 15-8 (JAN-) : 1145 - 1146
  • [3] SELF-CONSISTENT IMPURITY CALCULATIONS IN THE ATOMIC-SPHERES APPROXIMATION
    GUNNARSSON, O
    JEPSEN, O
    ANDERSEN, OK
    [J]. PHYSICAL REVIEW B, 1983, 27 (12): : 7144 - 7168
  • [4] A 1ST-PRINCIPLES THEORY OF FERROMAGNETIC PHASE-TRANSITIONS IN METALS
    GYORFFY, BL
    PINDOR, AJ
    STAUNTON, J
    STOCKS, GM
    WINTER, H
    [J]. JOURNAL OF PHYSICS F-METAL PHYSICS, 1985, 15 (06): : 1337 - 1386
  • [5] MAGNETIC, CHEMICAL AND STRUCTURAL ORDERING IN TRANSITION-METALS
    HEINE, V
    SAMSON, JH
    [J]. JOURNAL OF PHYSICS F-METAL PHYSICS, 1983, 13 (10): : 2155 - 2168
  • [6] HIRAI K, 1989, J PHYS SOC JPN, V54, P4288
  • [7] DETERMINATION OF NEEL TEMPERATURE OF FACE-CENTERED-CUBIC IRON
    JOHANSON, GJ
    MCGIRR, MB
    WHEELER, DA
    [J]. PHYSICAL REVIEW B, 1970, 1 (07): : 3208 - &
  • [8] GENERALIZED MAGNETIC-SUSCEPTIBILITIES OF ITINERANT MAGNETIC SYSTEMS
    JORDAN, F
    ENTEL, P
    [J]. PHYSICA B, 1989, 161 (1-3): : 121 - 124
  • [9] KONDORSKII EI, 1959, ZH EKSP TEOR FIZ+, V35, P1579
  • [10] DENSITY FUNCTIONAL THEORY OF NON-COLLINEAR MAGNETISM
    KUBLER, J
    HOCK, KH
    STICHT, J
    WILLIAMS, AR
    [J]. JOURNAL OF PHYSICS F-METAL PHYSICS, 1988, 18 (03): : 469 - 483