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TiN film growth on misoriented TiN grains with simultaneous low-energy bombardment: Restructuring leading to epitaxy
Örebro universitet, Institutionen för naturvetenskap och teknik. Department of Physics, Chemistry, and Biology (IFM), Linköping University, Linköping, Sweden.
Department of Physics, Chemistry, and Biology (IFM), Linköping University, Linköping, Sweden; ICAMS, Ruhr-Universität Bochum, Bochum, Germany.
Department of Physics, Chemistry, and Biology (IFM), Linköping University, Linköping, Sweden.
Department of Physics, Chemistry, and Biology (IFM), Linköping University, Linköping, Sweden; Frederick Seitz Materials Research Laboratory and the Materials Science Department, University of Illinois at Urbana-Champaign, Urbana IL, USA.
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2019 (engelsk)Inngår i: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 688, artikkel-id UNSP 137380Artikkel i tidsskrift (Fagfellevurdert) 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.

sted, utgiver, år, opplag, sider
Elsevier, 2019. Vol. 688, artikkel-id UNSP 137380
Emneord [en]
Titanium nitride, Molecular dynamics, Film growth simulations, Epitaxy
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Identifikatorer
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
Forskningsfinansiär
Knut and Alice Wallenberg FoundationVinnova, 2016-05156Swedish Research Council, 2009-00971 2013-4018 2014-5790
Merknad

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

Tilgjengelig fra: 2019-10-03 Laget: 2019-10-03 Sist oppdatert: 2019-10-03bibliografisk kontrollert

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