Structural, electronic, and magnetic properties of boron cluster anions doped with aluminum: B nAl - (2 ≤ n ≤ 9)

Chinese Physics B

Volumn 21, Issue 4, 2012, Pages

  Gu, Jian Bing ^a   Yang, Xiang Dong ^a   Wang, Huai Qian ^b   Li, Hui Fang ^a  

^a SICHUAN UNIVERSITY   (China)

^b HUAQIAO UNIVERSITY   (China)

Author keywords

boron aluminum cluster; density functional theory; geometric structure; relative stability

Indexed keywords

BORON ATOM; BORON CLUSTERS; BORON-ALUMINUM CLUSTER; DENSITY FUNCTIONAL THEORIES (DFT); ELECTRONIC AND MAGNETIC PROPERTIES; EXCESS ELECTRONS; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; FRAGMENTATION ENERGY; GEOMETRIC STRUCTURE; GEOMETRICAL STRUCTURE; LOCAL MAGNETIC MOMENTS; MAGNETIC EFFECTS; MOLECULAR ORBITAL ENERGY; NEUTRAL CLUSTERS; RELATIVE STABILITIES; SECOND ORDERS;

ATOMS; ISOMERS; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; QUANTUM CHEMISTRY;

ALUMINUM;

EID: 84859584126     PISSN: 16741056     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-1056/21/4/043102     Document Type: Article

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