Search: onr:"swepub:oai:DiVA.org:liu-130405" >
Large-scale molecul...
Large-scale molecular dynamics simulations of TiN/TiN(001) epitaxial film growth
-
- Edström, Daniel (author)
- Linköpings universitet,Tunnfilmsfysik,Tekniska fakulteten
-
- Sangiovanni, Davide (author)
- Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten
-
- Hultman, Lars (author)
- Linköpings universitet,Tunnfilmsfysik,Tekniska fakulteten
-
show more...
-
- Petrov, Ivan (author)
- Linköpings universitet,Tunnfilmsfysik,Tekniska fakulteten,University of Illinois, IL 61801 USA; University of Illinois, IL 61801 USA
-
- Greene, Joseph E (author)
- Linköpings universitet,Tunnfilmsfysik,Tekniska fakulteten,University of Illinois, USA
-
- Chirita, Valeriu (author)
- Linköpings universitet,Tunnfilmsfysik,Tekniska fakulteten
-
show less...
-
(creator_code:org_t)
- AMER INST PHYSICS, 2016
- 2016
- English.
-
In: Journal of Vacuum Science & Technology. A. Vacuum, Surfaces, and Films. - : AMER INST PHYSICS. - 0734-2101 .- 1520-8559. ; 34:4, s. 041509-1-041509-9
- Related links:
-
https://liu.diva-por... (primary) (Raw object)
-
show more...
-
http://liu.diva-port...
-
https://urn.kb.se/re...
-
https://doi.org/10.1...
-
show less...
Abstract
Subject headings
Close
- Large-scale classical molecular dynamics simulations of epitaxial TiN/TiN(001) thin film growth at 1200K are carried out using incident flux ratios N/Ti -1, 2, and 4. The films are analyzed as a function of composition, island size distribution, island edge orientation, and vacancy formation. Results show that N/Ti-1 films are globally understoichiometric with dispersed Ti-rich surface regions which serve as traps to nucleate 111-oriented islands, leading to local epitaxial breakdown. Films grown with N/Ti=2 are approximately stoichiometric and the growth mode is closer to layer-by-layer, while N/Ti-4 films are stoichiometric with N-rich surfaces. As N/Ti is increased from 1 to 4, island edges are increasingly polar, i. e., 110-oriented, and N-terminated to accommodate the excess N flux, some of which is lost by reflection of incident N atoms. N vacancies are produced in the surface layer during film deposition with N/Ti-1 due to the formation and subsequent desorption of N-2 molecules composed of a N adatom and a N surface atom, as well as itinerant Ti adatoms pulling up N surface atoms. The N vacancy concentration is significantly reduced as N/Ti is increased to 2; with N/Ti-4, Ti vacancies dominate. Overall, our results show that an insufficient N/Ti ratio leads to surface roughening via nucleation of small dispersed 111 islands, whereas high N/Ti ratios result in surface roughening due to more rapid upper-layer nucleation and mound formation. The growth mode of N/Ti-2 films, which have smoother surfaces, is closer to layer-by-layer. (C) 2016 American Vacuum Society.
Subject headings
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Publication and Content Type
- ref (subject category)
- art (subject category)
Find in a library
To the university's database