Structures, binding energies and magnetic moments of small iron clusters: A study based on all-electron DFT

Solid State Communications

Volumn 142, Issue 1-2, 2007, Pages 114-119

  Ma, Qing Min ^a,b   Xie, Zun ^a   Wang, Jing ^a   Liu, Ying ^a,b   Li, You Cheng ^a  

^a HEBEI NORMAL UNIVERSITY   (China)

^b National Key Laboratory for Materials Simulation and Design   (China)

Author keywords

A. Iron clusters; E. Density functional theory; E. First principles calculations

Indexed keywords

BINDING ENERGY; DENSITY FUNCTIONAL THEORY; DIFFERENTIAL EQUATIONS; GROUND STATE; MAGNETIC MOMENTS;

CLUSTER SIZE; FIRST PRINCIPLES CALCULATIONS; IRON CLUSTERS;

IRON COMPOUNDS;

EID: 33847607547     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2006.12.023     Document Type: Article

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