Stress-dependent prediction of metastable phase formation for magnetron-sputtered V1-xAlxN and Ti1-xAlxN thin films | |
Liu, Sida; Chang, Keke; Music, Denis; Chen, Xiang; Mraz, Stanislav; Bogdanovski, Dimitri; Hans, Marcus; Primetzhofer, Daniel; Schneider, Jochen M. | |
刊名 | ACTA MATERIALIA |
2020 | |
卷号 | 196页码:313-324 |
关键词 | INITIO MOLECULAR-DYNAMICS ALUMINUM NITRIDE THERMODYNAMIC ASSESSMENT OPTICAL-PROPERTIES ELASTIC PROPERTIES AL-V STABILITY TIALN TRANSFORMATION DECOMPOSITION |
DOI | 10.1016/j.actamat.2020.06.044 |
英文摘要 | Metastable transition metal aluminum nitride (TMAlN, TM = Ti, V) thin films are today deposited utilizing ionized vapor phase condensation techniques where variations in ion flux and ion energy cause compressive film stress, in turn affecting Al solubility. While the metastable phase formation of TiAlN has been modeled, the influence of film stresses on phase formation has so far been overlooked. Using combinatorial deposition via magnetron sputtering, thermodynamic modeling and density functional theory calculations, we investigated the phase formation of V1-xAlxN and Ti1-xAlxN thin films at various substrate temperatures and deposition rates. Ab initio calculations indicate that the maximum solid solubility of Al in face-centered cubic (fcc) V1-xAlxN or fcc-Ti1-xAlxN shows a linear trend as a function of the magnitude of compressive stress. Here, we consider the influence of film stresses on the metastable phase formation of fcc-V1-xAlxN and fcc-Ti1-xAlxN for the first time. Specifically, experimental data from a single combinatorial deposition is utilized to predict the stress-dependent formation of metastable phases based on thermodynamic and ab initio data. Explicit consideration of stress extends the Al solubility limit to higher values for both Ti1-xAlxN and V1-xAlxN thin films, previously unobtainable by energetics, but accessible experimentally. These predictions are experimentally verified and thus provide guidance for experimental efforts with the goal of increasing the Al concentration in fcc-TMAlN thin films. (C) 2020 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
学科主题 | Materials Science ; Metallurgy & Metallurgical Engineering |
内容类型 | 期刊论文 |
源URL | [http://ir.nimte.ac.cn/handle/174433/20540] |
专题 | 2020专题 |
作者单位 | Chang, KK (corresponding author), Rhein Westfal TH Aachen, Mat Chem, D-52056 Aachen, Germany. |
推荐引用方式 GB/T 7714 | Liu, Sida,Chang, Keke,Music, Denis,et al. Stress-dependent prediction of metastable phase formation for magnetron-sputtered V1-xAlxN and Ti1-xAlxN thin films[J]. ACTA MATERIALIA,2020,196:313-324. |
APA | Liu, Sida.,Chang, Keke.,Music, Denis.,Chen, Xiang.,Mraz, Stanislav.,...&Schneider, Jochen M..(2020).Stress-dependent prediction of metastable phase formation for magnetron-sputtered V1-xAlxN and Ti1-xAlxN thin films.ACTA MATERIALIA,196,313-324. |
MLA | Liu, Sida,et al."Stress-dependent prediction of metastable phase formation for magnetron-sputtered V1-xAlxN and Ti1-xAlxN thin films".ACTA MATERIALIA 196(2020):313-324. |
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