Full-potential KKR calculations for vacancies inAl: Screening effect and many-body interactions
Author:
Publisher
American Physical Society (APS)
Subject
Condensed Matter Physics,Electronic, Optical and Magnetic Materials
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.70.094118/fulltext
Reference35 articles.
1. Total-energy calculations for point defects in metals
2. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
3. 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
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2. Full-Potential KKR Calculations for Interaction Energies in Al-Rich AlX (X = H∼Sn) Alloys: I. Fundamental Features and Thermal Electronic Contribution due to Fermi-Dirac Distribution;MATERIALS TRANSACTIONS;2020-01-01
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4. Real Space Cluster Expansion for Total Energies of Pd-Rich PdX (X = Rh, Ru) Alloys, Based on Full-Potential KKR Calculations: An Approach from a Dilute Limit;MATERIALS TRANSACTIONS;2018-11-01
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