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Volume 13
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10.3390/met13020346
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Article

Modification of the Cu/W Interface Cohesion by Segregation

by
Rishi Bodlos
1,
Daniel Scheiber
1,
Jürgen Spitaler
1 and
Lorenz Romaner
1,2,*
1
Materials Center Leoben Forschung GmbH (MCL), Roseggerstraße 12, A-8700 Leoben, Austria
2
Department of Materials Science, Montanuniversität Leoben, Franz-Josef Straße 18, A-8700 Leoben, Austria
*
Author to whom correspondence should be addressed.
Metals 2023, 13(2), 346; https://doi.org/10.3390/met13020346
Submission received: 27 November 2022 / Revised: 15 January 2023 / Accepted: 26 January 2023 / Published: 9 February 2023
(This article belongs to the Special Issue Grain Boundary Segregation in Metallic Materials: Experiment and Modelling)
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Abstract

Cu/W composites are widely used in various industrial fields as they show thermomechanical properties suitable for a wide range of applications. Additionally, in semiconductor products, WTi in contact with Cu acts as a barrier material between Cu and Si/SiO2. Therefore, the bonding behavior of both Cu/W and Cu/WTi is of great economical interest, also with respect to the effects that impurities could have on the behaviour of the Cu/W(Ti) interface. The segregation behavior of relevant impurities has not been studied in detail before. In this work, we create atomistic models of the Cu/W and Cu/WTi interfaces, compare their energetics to previously known interfaces and study the effect of segregation on the interface cohesion. We find that all investigated segregants, i.e. Ti, Cl, S, Al, H, O, and vacancies weaken the cohesion of the interface.
Keywords: segregation; density functional theory; interfaces segregation; density functional theory; interfaces

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MDPI and ACS Style

Bodlos, R.; Scheiber, D.; Spitaler, J.; Romaner, L. Modification of the Cu/W Interface Cohesion by Segregation. Metals 2023, 13, 346. https://doi.org/10.3390/met13020346

AMA Style

Bodlos R, Scheiber D, Spitaler J, Romaner L. Modification of the Cu/W Interface Cohesion by Segregation. Metals. 2023; 13(2):346. https://doi.org/10.3390/met13020346

Chicago/Turabian Style

Bodlos, Rishi, Daniel Scheiber, Jürgen Spitaler, and Lorenz Romaner. 2023. "Modification of the Cu/W Interface Cohesion by Segregation" Metals 13, no. 2: 346. https://doi.org/10.3390/met13020346

APA Style

Bodlos, R., Scheiber, D., Spitaler, J., & Romaner, L. (2023). Modification of the Cu/W Interface Cohesion by Segregation. Metals, 13(2), 346. https://doi.org/10.3390/met13020346

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