Supercell Methods for Defect Calculations

DOI10.1007/11690320_3MaRDI QIDQ3417172zbMATH OpenOpenAlexFDO

Authors R. M. Nieminen

Publication date 29 January 2007

Published in Topics in Applied Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/11690320_3

Mathematics Subject Classification ID

Statistical mechanics of semiconductors (82D37)

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Cited in

(5)

• Electronic structure calculations in a uniform magnetic field using periodic supercells
• On the superadditivity of secant defects
• Marker-Method Calculations for Electrical Levels Using Gaussian-Orbital Basis Sets
• The Calculation of Free-Energiesin Semiconductors: Defects, Transitionsand Phase Diagrams
• First principles study of oxygen defects in silicon

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