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TiN film growth on misoriented TiN grains with simultaneous low-energy bombardment: Restructuring leading to epitaxy
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Orebro Univ, Sweden.
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering. Ruhr Univ Bochum, Germany.ORCID iD: 0000-0002-1379-6656
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.ORCID iD: 0000-0002-2837-3656
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Univ Illinois, IL 61801 USA.
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2019 (English)In: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 688, article id 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 SCIENCE SA , 2019. Vol. 688, article id 137380
Keywords [en]
Titanium nitride; Molecular dynamics; Film growth simulations; Epitaxy
National Category
Inorganic Chemistry
Identifiers
URN: urn:nbn:se:liu:diva-160969DOI: 10.1016/j.tsf.2019.06.030ISI: 000485256500051OAI: oai:DiVA.org:liu-160969DiVA, id: diva2:1370248
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; Knut and Alice Wallenberg FoundationKnut & Alice Wallenberg Foundation; Olle Engkvist Foundation; VinnovaVinnova [2016-05156]; Swedish Research Council (VR)Swedish Research Council [2009-00971, 2013-4018, 2014-5790]

Available from: 2019-11-14 Created: 2019-11-14 Last updated: 2019-11-14

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