学术探索
学术期刊
新闻热点
数据分析
智能评审

Tight-binding molecular-dynamics study of ferromagnetic clusters

被引：129
作者：
Andriotis, AN
Menon, M
机构：
[1] Fdn Res & Technol Hellas, Inst Elect Struct & Laser, Heraklio 71110, Crete, Greece
[2] Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA
[3] Univ Kentucky, Ctr Computat Sci, Lexington, KY 40506 USA
来源：
PHYSICAL REVIEW B | 1998年 / 57卷 / 16期
关键词：
D O I：
10.1103/PhysRevB.57.10069
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
A minimal parameter tight-binding molecular-dynamics scheme incorporating a Hubbard Hamiltonian for the treatment of magnetic effects is detailed. The computational efficiency of the scheme allows applications to cluster sizes well beyond the range of ab initio techniques. The method is used to obtain magnetic moments of Ni, Fe, and Co clusters in excellent agreement with experiment. [S0163-1829(98)01416-7].
引用
收藏
页码：10069 / 10081
页数：13
相关论文
共 91 条
  • [71] RENORMALIZED-DEFECT-MOLECULE APPROACH TO THE THEORY OF SUBSTITUTIONAL TRANSITION-METAL IONS IN SEMICONDUCTORS
    PICOLI, G
    CHOMETTE, A
    LANNOO, M
    [J]. PHYSICAL REVIEW B, 1984, 30 (12): : 7138 - 7147
  • [72] Vibrational analysis of Ni-n clusters
    PosadaAmarillas, A
    Garzon, IL
    [J]. PHYSICAL REVIEW B, 1996, 54 (15): : 10362 - 10365
  • [73] EXTENDED-X-RAY-ABSORPTION-FINE-STRUCTURE STUDY OF SMALL FE MOLECULES ISOLATED IN SOLID NEON
    PURDUM, H
    MONTANO, PA
    SHENOY, GK
    MORRISON, T
    [J]. PHYSICAL REVIEW B, 1982, 25 (07): : 4412 - 4417
  • [74] GEOMETRY, ELECTRONIC-STRUCTURE, AND MAGNETISM OF SMALL NI-N (N=2-6, 8, 13) CLUSTERS
    REUSE, FA
    KHANNA, SN
    [J]. CHEMICAL PHYSICS LETTERS, 1995, 234 (1-3) : 77 - 81
  • [75] ELECTRONIC-STRUCTURE AND MAGNETIC-BEHAVIOR OF NI-13 CLUSTERS
    REUSE, FA
    KHANNA, SN
    BERNEL, S
    [J]. PHYSICAL REVIEW B, 1995, 52 (16) : 11650 - 11653
  • [76] Computer simulation of the ground-state atomic configurations of Ni-Al clusters using the embedded-atom model
    Rey, C
    GarciaRodeja, J
    Gallego, LJ
    [J]. PHYSICAL REVIEW B, 1996, 54 (04): : 2942 - 2948
  • [77] ELECTRONIC-STRUCTURE AND PROPERTIES OF NICKEL CLUSTERS - NI6, NI8, NI19, AND NI44
    ROSCH, N
    ACKERMANN, L
    PACCHIONI, G
    [J]. CHEMICAL PHYSICS LETTERS, 1992, 199 (3-4) : 275 - 280
  • [78] Samuel Smart J., 1966, EFFECTIVE FIELD THEO
  • [79] INTERACTION BETWEEN 2 CO ATOMS - AN ALL ELECTRON ABINITIO HF-CI INVESTIGATION
    SHIM, I
    GINGERICH, KA
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (09) : 5693 - 5698
  • [80] SIMPLIFIED LCAO METHOD FOR THE PERIODIC POTENTIAL PROBLEM
    SLATER, JC
    KOSTER, GF
    [J]. PHYSICAL REVIEW, 1954, 94 (06): : 1498 - 1524
12345678910