SYMMETRY AND CLUSTER MAGNETISM

被引：109

作者：

DUNLAP, BI

机构：

[1] Theoretical Chemistry Section, Naval Research Laboratory, Washington

来源：

PHYSICAL REVIEW A | 1990年 / 41卷 / 10期

关键词：

D O I：

10.1103/PhysRevA.41.5691

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Three possible isomers of 13-atom iron clusters are studied using local-density-functional methods that allow the spin of the cluster to be determined self-consistently. The ground state is the icosahedral structure. It has the greatest magnetic moment because of increased symmetry-required orbital degeneracy for electrons of different spins. © 1990 The American Physical Society.

引用

页码：5691 / 5694

页数：4

共 25 条

[1] EQUILIBRIUM STRUCTURES AND FINITE TEMPERATURE PROPERTIES OF SILICON MICROCLUSTERS FROM ABINITIO MOLECULAR-DYNAMICS CALCULATIONS
BALLONE, P
ANDREONI, W
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[2] MAGNETIC-BEHAVIOR OF FREE-IRON AND IRON-OXIDE CLUSTERS
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[3] SYMMETRY AND SPIN-DENSITY FUNCTIONAL THEORY
DUNLAP, BI
[J]. CHEMICAL PHYSICS, 1988, 125 (01) : 89 - 97
[4] 1ST-ROW DIATOMIC-MOLECULES AND LOCAL DENSITY MODELS
DUNLAP, BI
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SABIN, JR
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[5] DUNLAP BI, 1988, INT J QUANTUM CHEM, P257
[6] SOME APPROXIMATIONS IN APPLICATIONS OF X-ALPHA THEORY
DUNLAP, BI
CONNOLLY, JWD
SABIN, JR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (08) : 3396 - 3402
[7] ON THE GAUSSIAN-TYPE ORBITALS APPROACH TO LOCAL DENSITY FUNCTIONAL THEORY
DUNLAP, BI
ROSCH, N
[J]. JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1989, 86 (04) : 671 - 688
[8] DUNLAP BI, 1987, ADV CHEM PHYS, V69, P287
[9] DUNLAP BI, UNPUB
[10] FOURIER-TRANSFORM ION-CYCLOTRON RESONANCE STUDIES OF H-2 CHEMISORPTION ON NIOBIUM CLUSTER CATIONS
ELKIND, JL
WEISS, FD
ALFORD, JM
LAAKSONEN, RT
SMALLEY, RE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (08) : 5215 - 5224

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