Original Paper

Electronic structure calculationsof magnesium chalcogenides MgS and MgSe

  1. D. Rached,
  2. N. Benkhettou1,
  3. B. Soudini1,
  4. B. Abbar2,
  5. N. Sekkal1,
  6. M. Driz1

Article first published online: 7 OCT 2003

DOI: 10.1002/pssb.200301889

Issue

physica status solidi (b)

physica status solidi (b)

Volume 240, Issue 3, pages 565–573, December 2003

Additional Information

How to Cite

Rached, D., Benkhettou, N., Soudini, B., Abbar, B., Sekkal, N. and Driz, M. (2003), Electronic structure calculationsof magnesium chalcogenides MgS and MgSe. physica status solidi (b), 240: 565–573. doi: 10.1002/pssb.200301889

Author Information

  1. 1

    Applied Materials Laboratory, Physics Department, Research Centre (ex CFTE), route de Mascara, University of Djillali LIABES, Sidi Bel-Abbès (22000), Algeria

  2. 2

    Computational Materials Science Laboratory, Physics Department, Research Centre (ex CFTE), route de Mascara, University of Djillali LIABES, Sidi Bel-Abbès (22000), Algeria

Publication History

  1. Issue published online: 11 NOV 2003
  2. Article first published online: 7 OCT 2003
  3. Manuscript Revised: 13 AUG 2003
  4. Manuscript Accepted: 13 AUG 2003
  5. Manuscript Received: 14 NOV 2002

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Keywords:

  • 62.20.Dc;
  • 71.15.Ap;
  • 71.20.Ps

Abstract

Theoretical results on the structural and the electronic properties of MgS and MgSe are presented. The calculations were made using the full-potential linear muffin-tin orbitals (FP-LMTO) method augmented by a plane wave (PLW) basis. It was found that the electronic properties in the B1, B3 and B4 structures of these magnesium chalcogenides show good agreement compared to other works. Through these results the power of these calculation methods applied to the magnesium chalcogenides was confirmed. (© 2003 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)

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