Transition Metal Ions in Semiconductors: LDA, LDA+U, and Experiment

• Authors: T. Zakrzewski , P. Bogusławski
• Languages of publication: EN

Abstracts

EN

Electronic structure of Cr, Mn, Fe, and Co transition metal (TM) ions in GaN and AlN was calculated within generalized gradient approximation and GGA+U. The +U term was considered as a free parameter with 0 < U < 5 eV. Comparison with available data for intracenter optical transitions for Fe and Mn shows that good agreement is obtained for values of U smaller than 1 eV.

Keywords

EN

71.15.Mb; 71.55.-i; 71.55.Eq; 75.50.Pp

Discipline

• 71.55.Eq: III-V semiconductors
• 71.15.Mb: Density functional theory, local density approximation, gradient and other corrections
• 75.50.Pp: Magnetic semiconductors
• 71.55.-i: Impurity and defect levels

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2015
• Volume: 127
• Issue: 2
• Pages: 321-323

Dates

published

2015-02

Contributors

author

T. Zakrzewski

• Institute of Physics, Polish Academy of Sciences, al. Lotników 32/46, 02-668 Warszawa, Poland

author

P. Bogusławski

• Institute of Physics, Polish Academy of Sciences, al. Lotników 32/46, 02-668 Warszawa, Poland
• Faculty of Physics, Kazimierz Wielki University, pl. J. Weyssenhoffa 11, 85-072 Bydgoszcz, Poland

References

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Identifiers

DOI

10.12693/APhysPolA.127.321