Geometries, stabilities, and magnetic properties of Cr@Aun (n=1-8) clusters: Density functional theory study

Physica A: Statistical Mechanics and its Applications

Volumn 389, Issue 22, 2010, Pages 5216-5222

  Dong, Die ^a,b   Kuang, Xiao Yu ^b,c   Guo, Jian Jun ^a   Zheng, Ben Xia ^a  

^a XIHUA UNIVERSITY   (China)

^b SICHUAN UNIVERSITY   (China)

^c INTERNATIONAL CENTRE FOR MATERIALS PHYSICS   (China)

Author keywords

Geometrical structure; Magnetic property; Relative stability

Indexed keywords

ATOMS; BINARY ALLOYS; CHARGE TRANSFER; CHEMICAL STABILITY; CHROMIUM; CHROMIUM ALLOYS; GEOMETRY; GOLD ALLOYS; GROUND STATE; ISOMERS; MAGNETIC MOMENTS; MAGNETIC PROPERTIES;

DENSITY FUNCTIONAL THEORY STUDIES; DENSITY-FUNCTIONAL METHODS; FRAGMENTATION ENERGY; GEOMETRICAL STRUCTURE; GROUND STATE CONFIGURATION; HOMO-LUMO ENERGY GAP; RELATIVE STABILITIES; SECOND-ORDER ENERGIES;

DENSITY FUNCTIONAL THEORY;

EID: 77956973875     PISSN: 03784371     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physa.2010.07.019     Document Type: Article

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