Nanometre-scale 3D defects in Cr2AlC thin films

Abstract MAX-phase Cr2AlC containing thin films were synthesized by magnetron sputtering in an industrial system. Nanometre-scale 3D defects are observed near the boundary between regions of Cr2AlC and of the disordered solid solution (CrAl)xCy. Shrinkage of the Cr-Cr interplanar distance and elonga...

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Autores principales:	Y. T. Chen, D. Music, L. Shang, J. Mayer, J. M. Schneider
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/a826f5e922494d278f8d8cd86145a8f2
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spelling	oai:doaj.org-article:a826f5e922494d278f8d8cd86145a8f22021-12-02T12:32:41ZNanometre-scale 3D defects in Cr2AlC thin films10.1038/s41598-017-01196-32045-2322https://doaj.org/article/a826f5e922494d278f8d8cd86145a8f22017-04-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-01196-3https://doaj.org/toc/2045-2322Abstract MAX-phase Cr2AlC containing thin films were synthesized by magnetron sputtering in an industrial system. Nanometre-scale 3D defects are observed near the boundary between regions of Cr2AlC and of the disordered solid solution (CrAl)xCy. Shrinkage of the Cr-Cr interplanar distance and elongation of the Cr-Al distance in the vicinity of the defects are detected using transmission electron microscopy. The here observed deformation surrounding the defects was described using density functional theory by comparing the DOS of bulk Cr2AlC with the DOS of a strained and unstrained Cr2AlC(0001) surface. From the partial density of states analysis, it can be learned that Cr-C bonds are stronger than Cr-Al bonds in bulk Cr2AlC. Upon Cr2AlC(0001) surface formation, both bonds are weakened. While the Cr-C bonds recover their bulk strength as Cr2AlC(0001) is strained, the Cr-Al bonds experience only a partial recovery, still being weaker than their bulk counterparts. Hence, the strain induced bond strengthening in Cr2AlC(0001) is larger for Cr d – C p bonds than for Cr d – Al p bonds. The here observed changes in bonding due to the formation of a strained surface are consistent with the experimentally observed elongation of the Cr-Al distance in the vicinity of nm-scale 3D defects in Cr2AlC thin films.Y. T. ChenD. MusicL. ShangJ. MayerJ. M. SchneiderNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-8 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Y. T. Chen D. Music L. Shang J. Mayer J. M. Schneider Nanometre-scale 3D defects in Cr2AlC thin films
description	Abstract MAX-phase Cr2AlC containing thin films were synthesized by magnetron sputtering in an industrial system. Nanometre-scale 3D defects are observed near the boundary between regions of Cr2AlC and of the disordered solid solution (CrAl)xCy. Shrinkage of the Cr-Cr interplanar distance and elongation of the Cr-Al distance in the vicinity of the defects are detected using transmission electron microscopy. The here observed deformation surrounding the defects was described using density functional theory by comparing the DOS of bulk Cr2AlC with the DOS of a strained and unstrained Cr2AlC(0001) surface. From the partial density of states analysis, it can be learned that Cr-C bonds are stronger than Cr-Al bonds in bulk Cr2AlC. Upon Cr2AlC(0001) surface formation, both bonds are weakened. While the Cr-C bonds recover their bulk strength as Cr2AlC(0001) is strained, the Cr-Al bonds experience only a partial recovery, still being weaker than their bulk counterparts. Hence, the strain induced bond strengthening in Cr2AlC(0001) is larger for Cr d – C p bonds than for Cr d – Al p bonds. The here observed changes in bonding due to the formation of a strained surface are consistent with the experimentally observed elongation of the Cr-Al distance in the vicinity of nm-scale 3D defects in Cr2AlC thin films.
format	article
author	Y. T. Chen D. Music L. Shang J. Mayer J. M. Schneider
author_facet	Y. T. Chen D. Music L. Shang J. Mayer J. M. Schneider
author_sort	Y. T. Chen
title	Nanometre-scale 3D defects in Cr2AlC thin films
title_short	Nanometre-scale 3D defects in Cr2AlC thin films
title_full	Nanometre-scale 3D defects in Cr2AlC thin films
title_fullStr	Nanometre-scale 3D defects in Cr2AlC thin films
title_full_unstemmed	Nanometre-scale 3D defects in Cr2AlC thin films
title_sort	nanometre-scale 3d defects in cr2alc thin films
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/a826f5e922494d278f8d8cd86145a8f2
work_keys_str_mv	AT ytchen nanometrescale3ddefectsincr2alcthinfilms AT dmusic nanometrescale3ddefectsincr2alcthinfilms AT lshang nanometrescale3ddefectsincr2alcthinfilms AT jmayer nanometrescale3ddefectsincr2alcthinfilms AT jmschneider nanometrescale3ddefectsincr2alcthinfilms
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Nanometre-scale 3D defects in Cr2AlC thin films

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