Thermodynamics and kinetics of surface/interface segregation in the stressed ultrathin alloy film on inert substrate

Yi Yan; Songyou Lian; Leonid Klinger; Eugen Rabkin; Jiangyong Wang; Congkang Xu

doi:10.1016/j.apsusc.2021.150050

Thermodynamics and kinetics of surface/interface segregation in the stressed ultrathin alloy film on inert substrate

Yi Yan, Songyou Lian, Leonid Klinger, Eugen Rabkin, Jiangyong Wang, Congkang Xu

Materials Science & Engineering

Technion - Israel Institute of Technology

Research output: Contribution to journal › Article › peer-review

Abstract

A general method is proposed for the simulation of thermodynamics and kinetics of surface/interface segregation in ultrathin alloy films deposited on inert substrates. This method takes into account the effects of the finite size of the system, the interlayer atomic interaction and the heteroepitaxial strain, and is based on the combination of the regular solution broken bond-type model and the modified Darken model. As an example, the method is applied to simulate the equilibrium surface/interface segregation in ultrathin Cu(1 1 1)–0.25at.% Ag alloy film deposited on the sapphire substrate, and the kinetics of its change. It is shown that heteroepitaxial strain strongly affects the chemical compositions of the film surface and its interface with the substrate.

Original language	English
Article number	150050
Journal	Applied Surface Science
Volume	562
DOIs	https://doi.org/10.1016/j.apsusc.2021.150050
State	Published - 1 Oct 2021

Keywords

Alloy film
Diffusion-induced stress
Modified Darken model
Regular solution broken bond-type model
Surface and interface segregation

All Science Journal Classification (ASJC) codes

General Chemistry
Condensed Matter Physics
Surfaces, Coatings and Films
General Physics and Astronomy
Surfaces and Interfaces

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10.1016/j.apsusc.2021.150050

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title = "Thermodynamics and kinetics of surface/interface segregation in the stressed ultrathin alloy film on inert substrate",

abstract = "A general method is proposed for the simulation of thermodynamics and kinetics of surface/interface segregation in ultrathin alloy films deposited on inert substrates. This method takes into account the effects of the finite size of the system, the interlayer atomic interaction and the heteroepitaxial strain, and is based on the combination of the regular solution broken bond-type model and the modified Darken model. As an example, the method is applied to simulate the equilibrium surface/interface segregation in ultrathin Cu(1 1 1)–0.25at.% Ag alloy film deposited on the sapphire substrate, and the kinetics of its change. It is shown that heteroepitaxial strain strongly affects the chemical compositions of the film surface and its interface with the substrate.",

keywords = "Alloy film, Diffusion-induced stress, Modified Darken model, Regular solution broken bond-type model, Surface and interface segregation",

author = "Yi Yan and Songyou Lian and Leonid Klinger and Eugen Rabkin and Jiangyong Wang and Congkang Xu",

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doi = "10.1016/j.apsusc.2021.150050",

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T1 - Thermodynamics and kinetics of surface/interface segregation in the stressed ultrathin alloy film on inert substrate

AU - Yan, Yi

AU - Lian, Songyou

AU - Klinger, Leonid

AU - Rabkin, Eugen

AU - Wang, Jiangyong

AU - Xu, Congkang

PY - 2021/10/1

Y1 - 2021/10/1

N2 - A general method is proposed for the simulation of thermodynamics and kinetics of surface/interface segregation in ultrathin alloy films deposited on inert substrates. This method takes into account the effects of the finite size of the system, the interlayer atomic interaction and the heteroepitaxial strain, and is based on the combination of the regular solution broken bond-type model and the modified Darken model. As an example, the method is applied to simulate the equilibrium surface/interface segregation in ultrathin Cu(1 1 1)–0.25at.% Ag alloy film deposited on the sapphire substrate, and the kinetics of its change. It is shown that heteroepitaxial strain strongly affects the chemical compositions of the film surface and its interface with the substrate.

AB - A general method is proposed for the simulation of thermodynamics and kinetics of surface/interface segregation in ultrathin alloy films deposited on inert substrates. This method takes into account the effects of the finite size of the system, the interlayer atomic interaction and the heteroepitaxial strain, and is based on the combination of the regular solution broken bond-type model and the modified Darken model. As an example, the method is applied to simulate the equilibrium surface/interface segregation in ultrathin Cu(1 1 1)–0.25at.% Ag alloy film deposited on the sapphire substrate, and the kinetics of its change. It is shown that heteroepitaxial strain strongly affects the chemical compositions of the film surface and its interface with the substrate.

KW - Alloy film

KW - Diffusion-induced stress

KW - Modified Darken model

KW - Regular solution broken bond-type model

KW - Surface and interface segregation

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U2 - 10.1016/j.apsusc.2021.150050

DO - 10.1016/j.apsusc.2021.150050

M3 - مقالة

SN - 0169-4332

VL - 562

JO - Applied Surface Science

JF - Applied Surface Science

M1 - 150050

ER -

Thermodynamics and kinetics of surface/interface segregation in the stressed ultrathin alloy film on inert substrate

Abstract

Keywords

All Science Journal Classification (ASJC) codes

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