Structural properties of amorphous selenium: An ab initio molecular-dynamics simulation

Computational Materials Science

Volumn 47, Issue 4, 2010, Pages 934-939

  Reyes Retana, J A ^a   Valladares, Ariel A ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

ab initio molecular dynamics; Amorphous selenium; Radial distribution functions

Indexed keywords

AB INITIO; AB INITIO MOLECULAR DYNAMICS; AB INITIO MOLECULAR DYNAMICS METHODS; AMORPHOUS SELENIUM; AMORPHOUS STRUCTURES; BOND-ANGLE DISTRIBUTION; DIAMOND-LIKE; DIHEDRAL ANGLES; GEOMETRY OPTIMIZATION; MOLECULAR DYNAMICS SIMULATIONS; NEW APPROACHES; RADIAL DISTRIBUTION FUNCTIONS; RADIAL DISTRIBUTIONS; SUPER CELL;

DYNAMICS; MOLECULAR DYNAMICS; SELENIUM;

DISTRIBUTION FUNCTIONS;

EID: 74149088400     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2009.11.026     Document Type: Article

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