Unambiguous assignment of the ground state of a nearly degenerate cluster

被引:46
作者
Gutsev, GL [1 ]
Khanna, SN [1 ]
Jena, P [1 ]
机构
[1] Virginia Commonwealth Univ, Dept Phys, Richmond, VA 23284 USA
来源
PHYSICAL REVIEW B | 2000年 / 62卷 / 03期
关键词
D O I
10.1103/PhysRevB.62.1604
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
A synergistic approach that combines first-principles theory and electron photodetachment experiment is shown to be able to uniquely identify the ground state of a nearly degenerate cluster in the gas phase. Additionally, this approach can complement the Stern-Gerlach technique in determining the magnetic moment of small clusters unambiguously. The method, applied to a Fe-3 cluster, reveals its ground state to have a magnetic moment of 10 mu(B)-in contrast with earlier predictions.
引用
收藏
页码:1604 / 1606
页数:3
相关论文
共 19 条
  • [1] Surface-enhanced magnetism in nickel clusters
    Apsel, SE
    Emmert, JW
    Deng, J
    Bloomfield, LA
    [J]. PHYSICAL REVIEW LETTERS, 1996, 76 (09) : 1441 - 1444
  • [2] DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR
    BECKE, AD
    [J]. PHYSICAL REVIEW A, 1988, 38 (06): : 3098 - 3100
  • [3] MAGNETISM FROM THE ATOM TO THE BULK IN IRON, COBALT, AND NICKEL CLUSTERS
    BILLAS, IML
    CHATELAIN, A
    DEHEER, WA
    [J]. SCIENCE, 1994, 265 (5179) : 1682 - 1684
  • [4] DENSITY-FUNCTIONAL CALCULATIONS FOR SMALL IRON CLUSTERS - FEN, FEN+, AND FEN- FOR N-LESS-THAN-OR-EQUAL-TO-5
    CASTRO, M
    SALAHUB, DR
    [J]. PHYSICAL REVIEW B, 1994, 49 (17): : 11842 - 11852
  • [5] Structure, bonding, and magnetism of small Fe-n, Co-n, and Ni-n, clusters, n<=5
    Castro, M
    Jamorski, C
    Salahub, DR
    [J]. CHEMICAL PHYSICS LETTERS, 1997, 271 (1-3) : 133 - 142
  • [6] THEORY OF MAGNETIC AND STRUCTURAL ORDERING IN IRON CLUSTERS
    CHEN, JL
    WANG, CS
    JACKSON, KA
    PEDERSON, MR
    [J]. PHYSICAL REVIEW B, 1991, 44 (12): : 6558 - 6561
  • [7] FRISCH MJ, 1995, GAUSSIAN94 REV B 1
  • [8] High Curie temperature and possible canted magnetism in free Gd clusters
    Gerion, D
    Hirt, A
    Châtelain, A
    [J]. PHYSICAL REVIEW LETTERS, 1999, 83 (03) : 532 - 535
  • [9] FeO4:: A unique example of a closed-shell cluster mimicking a superhalogen
    Gutsev, GL
    Khanna, SN
    Rao, BK
    Jena, P
    [J]. PHYSICAL REVIEW A, 1999, 59 (05) : 3681 - 3684
  • [10] Origin of the unusual stability of MnO4-
    Gutsev, GL
    Rao, BK
    Jena, P
    Wang, XB
    Wang, LS
    [J]. CHEMICAL PHYSICS LETTERS, 1999, 312 (5-6) : 598 - 605