Fracture properties of thin film TiN at elevated temperatures
We provide an experimental and theoretical description of the high temperature fracture behaviour of TiN thin films. For this, we employ molecular dynamics and density functional theory, to show that the surface energies drop insignificantly between 0 and 1000 K. We utilise these results to predict...
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doaj-2b7efeb1a4ae45b5afdb15ce9964cdad2020-11-25T02:30:49ZengElsevierMaterials & Design0264-12752020-09-01194108885Fracture properties of thin film TiN at elevated temperaturesJ. Buchinger0L. Löfler1J. Ast2A. Wagner3Z. Chen4J. Michler5Z.L. Zhang6P.H. Mayrhofer7D. Holec8M. Bartosik9Institute of Materials Science and Technology, TU Wien, Getreidemarkt 9, Vienna A-1060, Austria; Corresponding author.Department of Materials Science, Montanuniversität Leoben, Leoben A-8700, AustriaEmpa, Swiss Federal Laboratories for Materials Science and Technology, Laboratory for Mechanics of Materials and Microstructures, Feuerwerkerstr. 39, 3602 Thun, SwitzerlandInstitute of Materials Science and Technology, TU Wien, Getreidemarkt 9, Vienna A-1060, AustriaErich Schmid Institute of Materials Science, Austrian Academy of Sciences, Jahnstraße 12, Leoben, A-8700, AustriaEmpa, Swiss Federal Laboratories for Materials Science and Technology, Laboratory for Mechanics of Materials and Microstructures, Feuerwerkerstr. 39, 3602 Thun, SwitzerlandErich Schmid Institute of Materials Science, Austrian Academy of Sciences, Jahnstraße 12, Leoben, A-8700, AustriaInstitute of Materials Science and Technology, TU Wien, Getreidemarkt 9, Vienna A-1060, AustriaDepartment of Materials Science, Montanuniversität Leoben, Leoben A-8700, AustriaInstitute of Materials Science and Technology, TU Wien, Getreidemarkt 9, Vienna A-1060, AustriaWe provide an experimental and theoretical description of the high temperature fracture behaviour of TiN thin films. For this, we employ molecular dynamics and density functional theory, to show that the surface energies drop insignificantly between 0 and 1000 K. We utilise these results to predict a slight decrease of the fracture toughness over the aforementioned temperature range.For the experimental perspective, we use unbalanced DC reactive magnetron sputtering to synthesise a TiN film, on which we perform in situ high temperature microcantilever bending tests. Upon increasing the testing temperature from room temperature to 773 K our results present a slight, irreversible decrease of KIC, once the deposition temperature of the film (~653 K) is exceeded.Based on our theoretical groundwork, as well as complementary data produced by X-ray diffraction, nanoindentation, transmission electron microscopy, and wafer curvature measurements, we identify growth defect recovery as the main reason behind the decrease of KIC. We observe no change in the deformation and/or fracture mechanism of TiN across the experimentally investigated temperature range. Using an analytical model based on continuum mechanics, we estimate the influence of macro residual stresses on the temperature-dependent fracture toughness of TiN attached to a Si (100) wafer.http://www.sciencedirect.com/science/article/pii/S0264127520304196High temperature micromechanicsTransition metal nitridesThin filmsSputteringMolecular dynamicsContinuum mechanics |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
J. Buchinger L. Löfler J. Ast A. Wagner Z. Chen J. Michler Z.L. Zhang P.H. Mayrhofer D. Holec M. Bartosik |
spellingShingle |
J. Buchinger L. Löfler J. Ast A. Wagner Z. Chen J. Michler Z.L. Zhang P.H. Mayrhofer D. Holec M. Bartosik Fracture properties of thin film TiN at elevated temperatures Materials & Design High temperature micromechanics Transition metal nitrides Thin films Sputtering Molecular dynamics Continuum mechanics |
author_facet |
J. Buchinger L. Löfler J. Ast A. Wagner Z. Chen J. Michler Z.L. Zhang P.H. Mayrhofer D. Holec M. Bartosik |
author_sort |
J. Buchinger |
title |
Fracture properties of thin film TiN at elevated temperatures |
title_short |
Fracture properties of thin film TiN at elevated temperatures |
title_full |
Fracture properties of thin film TiN at elevated temperatures |
title_fullStr |
Fracture properties of thin film TiN at elevated temperatures |
title_full_unstemmed |
Fracture properties of thin film TiN at elevated temperatures |
title_sort |
fracture properties of thin film tin at elevated temperatures |
publisher |
Elsevier |
series |
Materials & Design |
issn |
0264-1275 |
publishDate |
2020-09-01 |
description |
We provide an experimental and theoretical description of the high temperature fracture behaviour of TiN thin films. For this, we employ molecular dynamics and density functional theory, to show that the surface energies drop insignificantly between 0 and 1000 K. We utilise these results to predict a slight decrease of the fracture toughness over the aforementioned temperature range.For the experimental perspective, we use unbalanced DC reactive magnetron sputtering to synthesise a TiN film, on which we perform in situ high temperature microcantilever bending tests. Upon increasing the testing temperature from room temperature to 773 K our results present a slight, irreversible decrease of KIC, once the deposition temperature of the film (~653 K) is exceeded.Based on our theoretical groundwork, as well as complementary data produced by X-ray diffraction, nanoindentation, transmission electron microscopy, and wafer curvature measurements, we identify growth defect recovery as the main reason behind the decrease of KIC. We observe no change in the deformation and/or fracture mechanism of TiN across the experimentally investigated temperature range. Using an analytical model based on continuum mechanics, we estimate the influence of macro residual stresses on the temperature-dependent fracture toughness of TiN attached to a Si (100) wafer. |
topic |
High temperature micromechanics Transition metal nitrides Thin films Sputtering Molecular dynamics Continuum mechanics |
url |
http://www.sciencedirect.com/science/article/pii/S0264127520304196 |
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