First-principles study of structural evolution of medium-sized Si N clusters (41 ≤ N ≤ 50) within stuffed fullerene cages

European Physical Journal D

Volumn 45, Issue 2, 2007, Pages 289-294

  Wang, J ^a   Zhao, J ^b   Ma, L ^b   Wang, G ^a  

^a NANJING UNIVERSITY   (China)

^b DALIAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; BINDING ENERGY; CRYSTAL ATOMIC STRUCTURE; DENSITY FUNCTIONAL THEORY; FULLERENES; IONIZATION POTENTIAL;

CAGE-LIKE STRUCTURES; CLUSTER SIZES; ELECTRON DENSITY FUNCTIONAL THEORIES; FIRST-PRINCIPLE STUDY; FULLERENE CAGES; FULLERENE STRUCTURE; LOW ENERGY STRUCTURES; LOWER-ENERGY STRUCTURE; LOWEST ENERGY STRUCTURE; STRUCTURAL EVOLUTION;

CHEMICAL STABILITY;

EID: 35348813645     PISSN: 14346060     EISSN: 14346079     Source Type: Journal    
DOI: 10.1140/epjd/e2007-00241-3     Document Type: Article

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