Effective ab initio exchange integrals and magnetic phase transition in fcc Fe and Mn antiferromagnets

被引：30
作者：
Zhou, YM
Wang, DS
Kawazoe, Y
机构：
[1] Acad Sinica, Inst Phys, State Key Lab Surface Phys, Beijing 100080, Peoples R China
[2] Acad Sinica, Ctr Condensed Matter Phys, Beijing 100080, Peoples R China
[3] Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan
来源：
PHYSICAL REVIEW B | 1999年 / 59卷 / 13期
关键词：
D O I：
10.1103/PhysRevB.59.8387
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
With fcc iron as an example, it is shown that a set of effective exchange integrals, obtained simply by fitting to the total energy of frozen collinear magnon states within the local spin-density approximation, reproduces the energy dispersion of the spiral spin-density wave in remarkable agreement with previous direct theoretical calculations. Monte Carlo simulation is used in the search of the ground spin configuration and in the study of the spin orientational fluctuation behaviors at finite temperature. The Neel temperature thus obtained for antiferromagnetic fee Fe and Mn is in reasonable agreement with the experimental measurement. [S0163-1829(99)06813-7].
引用
收藏
页码：8387 / 8390
页数：4
相关论文
共 23 条
  • [1] Molecular dynamics method to itinerant magnets with complex magnetic structure
    Akbar, S
    Kakehashi, Y
    Kimura, N
    [J]. JOURNAL OF APPLIED PHYSICS, 1997, 81 (08) : 3862 - 3864
  • [2] Spin dynamics in magnets: Equation of motion and finite temperature effects
    Antropov, VP
    Katsnelson, MI
    Harmon, BN
    vanSchilfgaarde, M
    Kusnezov, D
    [J]. PHYSICAL REVIEW B, 1996, 54 (02) : 1019 - 1035
  • [3] Full potential ab initio calculations of spiral spin density waves in fcc Fe
    Bylander, DM
    Kleinman, L
    [J]. PHYSICAL REVIEW B, 1998, 58 (14): : 9207 - 9211
  • [4] ANTIFERROMAGNETISM OF GAMMA IRON MANGANES ALLOYS
    ENDOH, Y
    ISHIKAWA, Y
    [J]. JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1971, 30 (06) : 1614 - &
  • [5] Adiabatic spin dynamics from spin-density-functional theory: Application to Fe, Co, and Ni
    Halilov, SV
    Eschrig, H
    Perlov, AY
    Oppeneer, PM
    [J]. PHYSICAL REVIEW B, 1998, 58 (01): : 293 - 302
  • [6] ON THE ORIGIN OF SHORT-RANGE ORDER ABOVE TC IN FE, CO, NI
    HEINE, V
    LIECHTENSTEIN, AI
    MRYASOV, ON
    [J]. EUROPHYSICS LETTERS, 1990, 12 (06): : 545 - 550
  • [7] Mossbauer effect study of face-centered-cubic-like Fe on Cu(001)
    Keune, W
    Schatz, A
    Ellerbrock, RD
    Fuest, A
    Wilmers, K
    Brand, RA
    [J]. JOURNAL OF APPLIED PHYSICS, 1996, 79 (08) : 4265 - 4272
  • [8] KITTEL C, 1963, QUANTUM THEORY SOLID, pCH4
  • [9] Gradient-corrected ab initio calculations of spin-spiral states in FCC-Fe
    Korling, M
    Ergon, J
    [J]. PHYSICA B, 1997, 237 : 353 - 354
  • [10] MAGNETIC PHASES OF ULTRATHIN FE GROWN ON CU(100) AS EPITAXIAL WEDGES
    LI, DQ
    FREITAG, M
    PEARSON, J
    QIU, ZQ
    BADER, SD
    [J]. PHYSICAL REVIEW LETTERS, 1994, 72 (19) : 3112 - 3115
123