Please use this identifier to cite or link to this item: http://ktisis.cut.ac.cy/handle/10488/7527
Title: Thermodynamics of c incorporation on si(100) from ab initio calculations
Authors: Remediakis, Ioannis N. 
Kaxiras, Efthimios 
Kelires, Pantelis C. 
Keywords: Dimers
Phase diagrams
Thermodynamics
Issue Date: 2001
Publisher: APS American Physical Society
Source: Physical Review Letters, 2001, Volume 86, Issue 20, Pages 4556-4559
Abstract: Ab initio calculations were used to study the thermodynamics of carbon incorporation on Si(100). The lowest energy structures were obtained through first-principle atomistic calculation. The long range strain effects were presented and incorporated into thermodynamic aspects by the classical effective Hamiltonian. The equlibrium phase diagram was determined by employing carbon chemical potential and was used to predict the mesoscopic structure of the system.
URI: http://ktisis.cut.ac.cy/handle/10488/7527
ISSN: 0031-9007 (print)
1079-7114 (online)
DOI: 10.1103/PhysRevLett.86.4556
Rights: © 2001 The American Physical Society.
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