Density functional study of structural and electronic properties of Al n P (2 ≤ n ≤ 12) clusters

Journal of Nanoparticle Research

Volumn 10, Issue 2, 2008, Pages 341-351

  Guo, Ling ^a   Wu, Haishun ^a  

^a SHANXI NORMAL UNIVERSITY   (China)

Author keywords

Aln P cluster; DFT theory; Nanomaterials; Stability; Valence electrons

Indexed keywords

DENSITY FUNCTIONAL THEORY; DISSOCIATION; ELECTRONIC STRUCTURE; MOLECULAR ORBITALS; PHASE EQUILIBRIA; SPIN DYNAMICS;

DISSOCIATION ENERGY; GENERALIZED GRADIENT APPROXIMATION (GGA); LOCAL SPIN DENSITY APPROXIMATION (LSDA); LOW-LYING EQUILIBRIUM;

NANOCLUSTERS;

ALUMINUM PHOSPHATE; PHOSPHORUS;

ARTICLE; ATOM; CHEMICAL PARAMETERS; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ELECTRIC POTENTIAL; ELECTRON; ELECTRONICS; ENERGY; GEOMETRY; HARDNESS; IONIZATION; OSCILLATION; POLARIZATION; PRIORITY JOURNAL;

EID: 37349008245     PISSN: 13880764     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11051-007-9258-y     Document Type: Article

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