Simulating the structure of amorphous Si0.5C0.5 using Lin-Harris molecular dynamics

Molecular Simulation

Volumn 34, Issue 10-15, 2008, Pages 989-995

  Mendoza, L M Mejia ^a   Valladares, R M ^a   Valladares, Ariel A ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

Ab initio molecular dynamics; Amorphous silicon carbide; Radial distribution functions

Indexed keywords

AMORPHOUS SILICON; ANNEALING; ATOMIC PHYSICS; ATOMS; BOND LENGTH; CRYSTALLINE MATERIALS; DIAMONDS; DISTRIBUTION FUNCTIONS; DYNAMICS; EXPERIMENTS; MELTING POINT; MOLECULAR DYNAMICS; PERIODIC STRUCTURES; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; QUENCHING; SEMICONDUCTING ALUMINUM COMPOUNDS; SILICON; SILICON CARBIDE; STUDIOS; THERMOCHEMISTRY;

AB INITIO; AB INITIO MOLECULAR DYNAMICS; AMORPHOUS SILICON CARBIDE; GEOMETRY RELAXATIONS; PARTIAL RADIAL DISTRIBUTION FUNCTIONS; PERIODIC SAMPLES; RADIAL DISTRIBUTION FUNCTIONS; RANDOM NETWORKS; STRUCTURE FACTORS; SUPER CELLS; TWO TYPES; YIELD CURVES;

CRYSTAL ATOMIC STRUCTURE;

EID: 56749169147     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020802454844     Document Type: Article

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