中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Stress-dependent prediction of metastable phase formation for magnetron-sputtered V1-xAlxN and Ti1-xAlxN thin films

文献类型:期刊论文

作者Liu, Sida; Chang, Keke; Music, Denis; Chen, Xiang; Mraz, Stanislav; Bogdanovski, Dimitri; Hans, Marcus; Primetzhofer, Daniel; Schneider, Jochen M.
刊名ACTA MATERIALIA
出版日期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
DOI10.1016/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
源URL[http://ir.nimte.ac.cn/handle/174433/20540]  
专题2020专题
2020专题_期刊论文
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.

入库方式: OAI收割

来源:宁波材料技术与工程研究所

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