Phase Transformation and Superstructure Formation in (Ti0.5, Mg0.5)N Thin Films through High-Temperature Annealing

(Ti0.5, Mg0.5)N thin films were synthesized by reactive dc magnetron sputtering from elemental targets onto c-cut sapphire substrates. Characterization by θ–2θ X-ray diffraction and pole figure measurements shows a rock-salt cubic structure with (111)-or...

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Main Authors:	Mohammad Amin Gharavi, Arnaud le Febvrier, Jun Lu, Grzegorz Greczynski, Björn Alling, Rickard Armiento, Per Eklund
Format:	Article
Language:	English
Published:	MDPI AG 2021-01-01
Series:	Coatings
Subjects:	sputtering thermoelectrics titanium nitride magnesium nitride ternary nitride
Online Access:	https://www.mdpi.com/2079-6412/11/1/89

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spelling	doaj-c453c4377d144338b72af10e0830fb632021-01-15T00:04:19ZengMDPI AGCoatings2079-64122021-01-0111898910.3390/coatings11010089Phase Transformation and Superstructure Formation in (Ti<sub>0.5</sub>, Mg<sub>0.5</sub>)N Thin Films through High-Temperature AnnealingMohammad Amin Gharavi0Arnaud le Febvrier1Jun Lu2Grzegorz Greczynski3Björn Alling4Rickard Armiento5Per Eklund6Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping, SwedenDepartment of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping, SwedenDepartment of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping, SwedenDepartment of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping, SwedenDepartment of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping, SwedenDepartment of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping, SwedenDepartment of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping, Sweden(Ti<sub>0.5</sub>, Mg<sub>0.5</sub>)N thin films were synthesized by reactive dc magnetron sputtering from elemental targets onto c-cut sapphire substrates. Characterization by θ–2θ X-ray diffraction and pole figure measurements shows a rock-salt cubic structure with (111)-oriented growth and a twin-domain structure. The films exhibit an electrical resistivity of 150 mΩ·cm, as measured by four-point-probe, and a Seebeck coefficient of −25 µV/K. It is shown that high temperature (~800 °C) annealing in a nitrogen atmosphere leads to the formation of a cubic LiTiO<sub>2</sub>-type superstructure as seen by high-resolution scanning transmission electron microscopy. The corresponding phase formation is possibly influenced by oxygen contamination present in the as-deposited films resulting in a cubic superstructure. Density functional theory calculations utilizing the generalized gradient approximation (GGA) functionals show that the LiTiO<sub>2</sub>-type TiMgN<sub>2</sub> structure has a 0.07 eV direct bandgap.https://www.mdpi.com/2079-6412/11/1/89sputteringthermoelectricstitanium nitridemagnesium nitrideternary nitride
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Mohammad Amin Gharavi Arnaud le Febvrier Jun Lu Grzegorz Greczynski Björn Alling Rickard Armiento Per Eklund
spellingShingle	Mohammad Amin Gharavi Arnaud le Febvrier Jun Lu Grzegorz Greczynski Björn Alling Rickard Armiento Per Eklund Phase Transformation and Superstructure Formation in (Ti<sub>0.5</sub>, Mg<sub>0.5</sub>)N Thin Films through High-Temperature Annealing Coatings sputtering thermoelectrics titanium nitride magnesium nitride ternary nitride
author_facet	Mohammad Amin Gharavi Arnaud le Febvrier Jun Lu Grzegorz Greczynski Björn Alling Rickard Armiento Per Eklund
author_sort	Mohammad Amin Gharavi
title	Phase Transformation and Superstructure Formation in (Ti<sub>0.5</sub>, Mg<sub>0.5</sub>)N Thin Films through High-Temperature Annealing
title_short	Phase Transformation and Superstructure Formation in (Ti<sub>0.5</sub>, Mg<sub>0.5</sub>)N Thin Films through High-Temperature Annealing
title_full	Phase Transformation and Superstructure Formation in (Ti<sub>0.5</sub>, Mg<sub>0.5</sub>)N Thin Films through High-Temperature Annealing
title_fullStr	Phase Transformation and Superstructure Formation in (Ti<sub>0.5</sub>, Mg<sub>0.5</sub>)N Thin Films through High-Temperature Annealing
title_full_unstemmed	Phase Transformation and Superstructure Formation in (Ti<sub>0.5</sub>, Mg<sub>0.5</sub>)N Thin Films through High-Temperature Annealing
title_sort	phase transformation and superstructure formation in (ti<sub>0.5</sub>, mg<sub>0.5</sub>)n thin films through high-temperature annealing
publisher	MDPI AG
series	Coatings
issn	2079-6412
publishDate	2021-01-01
description	(Ti<sub>0.5</sub>, Mg<sub>0.5</sub>)N thin films were synthesized by reactive dc magnetron sputtering from elemental targets onto c-cut sapphire substrates. Characterization by θ–2θ X-ray diffraction and pole figure measurements shows a rock-salt cubic structure with (111)-oriented growth and a twin-domain structure. The films exhibit an electrical resistivity of 150 mΩ·cm, as measured by four-point-probe, and a Seebeck coefficient of −25 µV/K. It is shown that high temperature (~800 °C) annealing in a nitrogen atmosphere leads to the formation of a cubic LiTiO<sub>2</sub>-type superstructure as seen by high-resolution scanning transmission electron microscopy. The corresponding phase formation is possibly influenced by oxygen contamination present in the as-deposited films resulting in a cubic superstructure. Density functional theory calculations utilizing the generalized gradient approximation (GGA) functionals show that the LiTiO<sub>2</sub>-type TiMgN<sub>2</sub> structure has a 0.07 eV direct bandgap.
topic	sputtering thermoelectrics titanium nitride magnesium nitride ternary nitride
url	https://www.mdpi.com/2079-6412/11/1/89
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Phase Transformation and Superstructure Formation in (Ti<sub>0.5</sub>, Mg<sub>0.5</sub>)N Thin Films through High-Temperature Annealing

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