Ab initio thermodynamics of deposition growth: Surface terminations of TiC(111) and TiN(111) grown by chemical vapor deposition

Physical Review B - Condensed Matter and Materials Physics

Volumn 82, Issue 4, 2010, Pages

  Rohrer, Jochen ^a   Hyldgaard, Per ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77956674597     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.82.045415     Document Type: Article

References (69)

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55. The (total) free energy per bulk unit is conveniently defined as g Ti X = lim n → G Ti X (n + 1) - G Ti X (n) where n is the number of bilayers in the Ti X slab. Since the bulk energy does not depend on the actual surface termination, we could also replace G Ti X (n + 1) by G Ti X / Ti (n + 1) or G Ti X / X (n + 1) if we simultaneously replace G Ti X (n) by G Ti X / Ti (n) or G Ti X / X (n), respectively.
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69. This ratio is, in principle, accessible by monitoring the supply and exhaust rate at a fixed pressure.