Full-Potential KKR Calculations for Point Defect Energies in Metals, based on the Generalized-Gradient Approximation: I. Vacancy Formation Energies in fcc and bcc Metals
Author:
Affiliation:
1. Department of Applied Physics, Faculty of Engineering, Shizuoka University
2. Graduate School of Electronic Science and Technology, Shizuoka University
3. Applied Material Physics, Mechanical System Engineering, Hiroshima University
Publisher
Japan Institute of Metals
Subject
Mechanical Engineering,Mechanics of Materials,Condensed Matter Physics,General Materials Science
Link
https://www.jstage.jst.go.jp/article/matertrans/42/11/42_11_2206/_pdf
Reference48 articles.
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3. 3) T. Hehenkamp: J. Phys. Chem. Solids 55 (1994) 907–915.
4. 4) P. Hohenberg and W. Kohn: Phys. Rev. 136 (1964) B864–B871.
5. 5) W. Kohn and L. J. Sham: Phys. Rev. 140 (1965) A1133–A1138.
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