Impact of Exchange-Correlations Effects (+U Corrections) on the Energy Levels of Mn and Fe Impurities in GaN and AlN: A Comparison with Experiment

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

Abstracts

EN

Electronic structure of Mn and Fe impurities in GaN and AlN are calculated within the density functional theory in the generalized gradient approximation without and with the +U corrections. The comparison with the available experimental data shows that the results obtained with U = 0 are in good agreement with experiment. Inclusion of +U corrections makes the agreement worse.

Keywords

EN

75.50.Pp; 76.30.Fc

Discipline

• 76.30.Fc: Iron group (3d) ions and impurities (Ti-Cu)
• 75.50.Pp: Magnetic semiconductors

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2013
• Volume: 124
• Issue: 5
• Pages: 898-900

Dates

published

2013-11

Contributors

author

T. Zakrzewski

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

author

P. Bogusławski

• Institute of Physics, Polish Academy of Sciences, al. Lotników 32/46, 02-668 Warsaw, Poland
• Kazimierz Wielki University, al. Powstanców Wielkopolskich 2, 85-090 Bydgoszcz, Poland

References

• [1] M. Cococcioni, S. de Gironcoli, Phys. Rev. B 71, 035105 (2005) and the references therein
• [2] M. van Schilfgaarde, O.N. Mryasov, Phys. Rev. B 63, 233205 (2001)
• [3] E. Kulatov, H. Nakayama, H. Mariette, H. Ohta, Yu.A. Uspenskii, Phys. Rev. B 66, 045203 (2002)
• [4] P. Boguslawski, J. Bernholc, Phys. Rev. B 72, 115208 (2005)
• [5] L.M. Sandratskii, P. Bruno, J. Kudrnovsky, Phys. Rev. B 69, 195203 (2004)
• [6] B. Xu, B.C. Pan, J. Appl. Phys. 105, 103710 (2009)
• [7] N. Gonzalez Szwacki, J.A. Majewski, T. Dietl, Phys. Rev. B 83, 184417 (2011)
• [8] P. Alippi, F. Filippone, G. Mattioli, A. Amore Bonapasta, V. Fiorentini, Phys. Rev. B 84, 033201 (2011)
• [9] R. Heitz, P. Maxim, L. Eckey, P. Thurian, A. Hoffmann, I. Broser, K. Pressel, B.K. Meyer, Phys. Rev. B 55, 4382 (1997)
• [10] E. Malguth, A. Hoffmann, W. Gehlhoff, O. Gelhausen, M.R. Phillips, X. Xu, Phys. Rev. B 74, 165202 (2006)
• [11] E. Malguth, A. Hoffmann, M.R. Phillips, Phys. Status Solidi B 245, 455 (2008)
• [12] T. Graf, M. Gjukic, M.S. Brandt, M. Stutzmann, O. Ambacher, Appl. Phys. Lett. 81, 5159 (2002)
• [13] A. Wolos, M. Palczewska, M. Zając, J. Gosk, M. Kamińska, A. Twardowski, M. Boćkowski, I. Grzegory, S. Porowski, Phys. Rev. B 69, 115210 (2004)
• [14] B. Han, B.W. Wessels, M.P. Ulmer, Appl. Phys. Lett. 86, 042505 (2005)
• [15] http://www.pwscf.org
• [16] J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)

Identifiers

DOI

10.12693/APhysPolA.124.898