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|Title:||Thermodynamics of c incorporation on si(100) from ab initio calculations||Authors:||Remediakis, Ioannis N.
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)
|DOI:||10.1103/PhysRevLett.86.4556||Rights:||© 2001 The American Physical Society.||Type:||Article|
|Appears in Collections:||Άρθρα/Articles|
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