Thin Ta films: growth, stability, and diffusion studied by molecular-dynamics simulations
Data(s) |
24/06/2002
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Resumo |
We report results of classical molecular-dynamics simulations of bcc and beta-Ta thin films. Thermal PVD film growth, surface roughness, argon ion bombardment, phase stability and transformation, vacancy and adatom diffusion, and thermal relaxation kinetics are discussed. Distinct differences between the two structures are observed, including a complex vacancy diffusion mechanism in beta-Ta. Embedded atom method potentials, which were fitted to bcc properties, have been used to model the Ta-Ta interactions. In order to verify the application of these potentials to the more complex beta-Ta structure, we have also performed density functional theory calculations. Results and implications of these calculations are discussed. |
Identificador |
http://www.scopus.com/inward/record.url?scp=0037166503&partnerID=8YFLogxK |
Idioma(s) |
eng |
Direitos |
info:eu-repo/semantics/restrictedAccess |
Fonte |
Klaver , P & Thijsse , B J 2002 , ' Thin Ta films: growth, stability, and diffusion studied by molecular-dynamics simulations ' Thin Solid Films , vol 413 , no. 1-2 , pp. 110-120 . |
Palavras-Chave | #/dk/atira/pure/subjectarea/asjc/2500/2508 #Surfaces, Coatings and Films #/dk/atira/pure/subjectarea/asjc/3100/3104 #Condensed Matter Physics #/dk/atira/pure/subjectarea/asjc/3100/3110 #Surfaces and Interfaces |
Tipo |
article |