Theoretical Routes for c-BN Thin Film Growth
Cubic boron nitride (c-BN) has been in focus for several years due to its interesting properties. The possibility for large area chemical vapor deposition (CVD) is a requirement for the realization of these different properties in various applications. Unfortunately, there are at present severe prob...
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ndltd-UPSALLA1-oai-DiVA.org-uu-2042342014-01-08T04:59:01ZTheoretical Routes for c-BN Thin Film GrowthengKarlsson, JohanUppsala universitet, Oorganisk kemiUppsala2013cubic boron nitridechemical vapor depositiondensity functional theoryCubic boron nitride (c-BN) has been in focus for several years due to its interesting properties. The possibility for large area chemical vapor deposition (CVD) is a requirement for the realization of these different properties in various applications. Unfortunately, there are at present severe problems in the CVD growth of c-BN. The purpose with this research project has been to theoretically investigate, using density functional theory (DFT) calculations, the possibility for a layer-by-layer CVD growth of c-BN. The results, in addition with experimental work by Zhang et al.57, indicate that plasma-enhanced atomic layer deposition (PEALD), using a BF3-H2-NH3-F2 pulse cycle and a diamond substrate, is a promising method for deposition of c-BN films. The gaseous species will decompose in the plasma and form BFx, H, NHx, and F species (x = 0, 1, 2, 3). The H and F radicals will uphold the cubic structure by completely hydrogenate, or fluorinate, the growing surface. Surface radical sites will appear during the growth process as a result of atomic H, or F, abstraction reactions. However, introduction of energy (e.g., ionic bombardment) is probably necessary to promote removal of H from the surface. The addition of NHx growth species (x = 0, 1, 2) to the B radical sites, and BFx growth species (x = 0, 1, 2) to N radical sites, will then result in a continuous growth of c-BN. Doctoral thesis, comprehensive summaryinfo:eu-repo/semantics/doctoralThesistexthttp://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-204234urn:isbn:978-91-554-8705-8Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, 1651-6214 ; 1055application/pdfinfo:eu-repo/semantics/openAccess |
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language |
English |
format |
Doctoral Thesis |
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cubic boron nitride chemical vapor deposition density functional theory |
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cubic boron nitride chemical vapor deposition density functional theory Karlsson, Johan Theoretical Routes for c-BN Thin Film Growth |
description |
Cubic boron nitride (c-BN) has been in focus for several years due to its interesting properties. The possibility for large area chemical vapor deposition (CVD) is a requirement for the realization of these different properties in various applications. Unfortunately, there are at present severe problems in the CVD growth of c-BN. The purpose with this research project has been to theoretically investigate, using density functional theory (DFT) calculations, the possibility for a layer-by-layer CVD growth of c-BN. The results, in addition with experimental work by Zhang et al.57, indicate that plasma-enhanced atomic layer deposition (PEALD), using a BF3-H2-NH3-F2 pulse cycle and a diamond substrate, is a promising method for deposition of c-BN films. The gaseous species will decompose in the plasma and form BFx, H, NHx, and F species (x = 0, 1, 2, 3). The H and F radicals will uphold the cubic structure by completely hydrogenate, or fluorinate, the growing surface. Surface radical sites will appear during the growth process as a result of atomic H, or F, abstraction reactions. However, introduction of energy (e.g., ionic bombardment) is probably necessary to promote removal of H from the surface. The addition of NHx growth species (x = 0, 1, 2) to the B radical sites, and BFx growth species (x = 0, 1, 2) to N radical sites, will then result in a continuous growth of c-BN. |
author |
Karlsson, Johan |
author_facet |
Karlsson, Johan |
author_sort |
Karlsson, Johan |
title |
Theoretical Routes for c-BN Thin Film Growth |
title_short |
Theoretical Routes for c-BN Thin Film Growth |
title_full |
Theoretical Routes for c-BN Thin Film Growth |
title_fullStr |
Theoretical Routes for c-BN Thin Film Growth |
title_full_unstemmed |
Theoretical Routes for c-BN Thin Film Growth |
title_sort |
theoretical routes for c-bn thin film growth |
publisher |
Uppsala universitet, Oorganisk kemi |
publishDate |
2013 |
url |
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-204234 http://nbn-resolving.de/urn:isbn:978-91-554-8705-8 |
work_keys_str_mv |
AT karlssonjohan theoreticalroutesforcbnthinfilmgrowth |
_version_ |
1716623078502432768 |