First-principles study on stability and magnetism of AlnZn (n=1-9) clusters

Physica B: Condensed Matter

Volumn 405, Issue 9, 2010, Pages 2344-2349

  Ren, Xiao Jun ^a   Li, Bao Xing ^a  

^a HANGZHOU NORMAL UNIVERSITY   (China)

Author keywords

AlZn clusters; Magnetism; Stable structure

Indexed keywords

ATOM NUMBERS; ATOMIC RADIUS; BONDING CHARACTERISTICS; CLUSTER SIZES; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; FIRST-PRINCIPLES STUDY; GROUND-STATE STRUCTURES; HIGH STABILITY; HIGHEST OCCUPIED MOLECULAR ORBITAL; IMPURITY ATOMS; LOWEST UNOCCUPIED MOLECULAR ORBITAL; MIXED CLUSTERS; NUMBER OF ELECTRONS; PURE AL; STABLE STRUCTURES; STRUCTURAL DISTORTIONS; UNPAIRED ELECTRONS; ZINC ATOMS;

ALUMINUM; ATOMS; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ION EXCHANGE; MAGNETIC MOMENTS; MOLECULAR MODELING; MOLECULAR ORBITALS;

ZINC;

EID: 77950300975     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2010.02.045     Document Type: Article

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