TiN film growth on misoriented TiN grains with simultaneous low-energy bombardment: Restructuring leading to epitaxyShow others and affiliations
2019 (English)In: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 688, article id UNSP 137380Article in journal (Refereed) Published
Abstract [en]
We perform large-scale molecular dynamics simulations of TiN deposition at 1200 K on TiN substrates consisting of under-stoichiometric (N/Ti = 0.86) misoriented grains. The energy of incoming Ti atoms is 2 eV and that of incoming N atoms is 10 eV. The simulations show that misoriented grains are reoriented during the early stages of growth, after which the film grows 001 epitaxially and is nearly stoichiometric. The grain reorientation coincides with an increase in film N/Ti ratio. As the grains reorient, additional nitrogen can no longer be accommodated, and the film composition becomes stoichiometric as the overlayer grows epitaxially.
Place, publisher, year, edition, pages
Elsevier, 2019. Vol. 688, article id UNSP 137380
Keywords [en]
Titanium nitride, Molecular dynamics, Film growth simulations, Epitaxy
National Category
Physical Sciences Materials Engineering
Identifiers
URN: urn:nbn:se:oru:diva-76997DOI: 10.1016/j.tsf.2019.06.030ISI: 000485256500051Scopus ID: 2-s2.0-85067980780OAI: oai:DiVA.org:oru-76997DiVA, id: diva2:1357196
Funder
Knut and Alice Wallenberg FoundationVinnova, 2016-05156Swedish Research Council, 2009-00971 2013-4018 2014-5790
Note
Funding Agencies:
Swedish Research Council (VR) Linkoping Linnaeus Initiative LiLi-NFM 2008-6572
Swedish Government Strategic Research Area Grant in Materials Science on Advanced Functional Materials
Olle Engkvist Foundation
2019-10-032019-10-032019-10-03Bibliographically approved