Pressure-induced structural transformations in a medium-sized silicon nanocrystal by tight-binding molecular dynamics

Journal of Chemical Physics

Volumn 117, Issue 24, 2002, Pages 11329-11335

  Martonak R ^a,b   Colombo, L ^c   Molteni, C ^d   Parrinello, M ^a,b  

^a Centro Svizzero Di Calcolo Scientifico   (Switzerland)

^b ETH ZURICH   (Switzerland)

^c UNIVERSITY OF CAGLIARI   (Italy)

^d UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

PRESSURE-INDUCED STRUCTURAL TRANSFORMATION; STANDARD DIAGONALIZATION TECHNIQUE; TIGHT-BINDING MOLECULAR DYNAMICS;

AMORPHOUS SILICON; CHEMICAL BONDS; COMPUTER SIMULATION; ELECTRONIC PROPERTIES; HAMILTONIANS; KINETIC THEORY; METALLIZING; MOLECULAR DYNAMICS; PRESSURE; PRESSURIZATION; TEMPERATURE; X RAY DIFFRACTION ANALYSIS;

NANOSTRUCTURED MATERIALS;

EID: 0037461498     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1523894     Document Type: Article

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