Effects of configurational disorder on adatom mobilities on TiAlN(001) surfaces

We use metastable NaCl-structure Ti0.5Al0.5N alloys to probe effects of configurational disorder on adatom surface diffusion dynamics which control phase stability and nanostructural evolution during film growth. First-principles calculations were employed to obtain potential energy maps of Ti and A...

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Bibliographic Details
Published in:arXiv.org 2012-02
Main Authors: Alling, B, Steneteg, P, Tholander, C, Tansnádi, F, Petrov, I, Greene, J E, Hultman, L
Format: Article
Language:English
Subjects:
Adatoms
Aluminum
Control stability
Dynamic stability
Film growth
First principles
Migration
Phase stability
Potential energy
Solid solutions
Surface diffusion
Surface stability
Titanium
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Summary:We use metastable NaCl-structure Ti0.5Al0.5N alloys to probe effects of configurational disorder on adatom surface diffusion dynamics which control phase stability and nanostructural evolution during film growth. First-principles calculations were employed to obtain potential energy maps of Ti and Al adsorption on an ordered TiN(001) reference surface and a disordered Ti0.5Al0.5N(001) solid-solution surface. The energetics of adatom migration on these surfaces are determined and compared in order to isolate effects of configurational disorder. The results show that alloy surface disorder dramatically reduces Ti adatom mobilities. Al adatoms, in sharp contrast, experience only small disorder-induced differences in migration dynamics.
ISSN:2331-8422
DOI:10.48550/arxiv.1202.5645