Computational investigation of GanAl (n = 1-15) clusters by the density-functional theory

Computational Materials Science

Volumn 45, Issue 4, 2009, Pages 951-958

  Guo, Ling ^a  

^a SHANXI NORMAL UNIVERSITY   (China)

Author keywords

Density functional theory; GanAl cluster; Stability

Indexed keywords

COMPUTATIONAL INVESTIGATIONS; DISSOCIATION ENERGIES; GANAL CLUSTER; GENERALIZED GRADIENT APPROXIMATIONS; GEOMETRIC STRUCTURES; GROUND-STATE STRUCTURES; GROWTH PATTERNS; HOMO-LUMO GAPS; LINEAR COMBINATION OF ATOMIC ORBITALS; ODD NUMBERS; SECOND-ORDER ENERGIES; SPIN-POLARIZED DENSITY FUNCTIONAL THEORIES; STABILITY ANALYSIS; STATIC POLARIZABILITIES; SURFACE ATOMS; VALENCE ELECTRONS;

ALUMINA; ALUMINUM; ATOMS; BINDING ENERGY; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ELECTRON AFFINITY; ELECTRONS; HARDNESS; IONIZATION POTENTIAL; SEMICONDUCTING GALLIUM ARSENIDE; STABILITY; TIME VARYING SYSTEMS; WAVE FUNCTIONS;

GALLIUM ALLOYS;

EID: 67349237113     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2009.01.001     Document Type: Article

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