Journal of Superconductivity and Novel Magnetism

, Volume 26, Issue 9, pp 2961–2967

Electronic Structure and Magnetic Properties of Doped GaAs (Zinc Blende) with Double Impurities and Defects

  • H. Zaari
  • M. Boujnah
  • H. Labrim
  • B. Khalil
  • A. Benyoussef
  • A. El Kenz
Original Paper

DOI: 10.1007/s10948-013-2119-2

Cite this article as:
Zaari, H., Boujnah, M., Labrim, H. et al. J Supercond Nov Magn (2013) 26: 2961. doi:10.1007/s10948-013-2119-2

Abstract

Using ab-initio calculations based on Korringa–Kohn–Rostoker coherent potential approximation (KKR-CPA) method in connection with the local density approximation (LDA), we study theoretically the electronic and magnetic properties of a system based on GaAs material. These properties have been studied, with different point defects in GaAs, which are Gallium interstitials (Gai), Gallium antisites (GaAs), Gallium vacancies (VGa), Arsenic interstitials (Asi) and Arsenic antisites (AsGa), Arsenic vacancies (VAs), and in-doped or codoped system Ga1−xCoxAs and Ga1−yzCoyFezAs, respectively. This work presents detailed information about total and local density of states at different concentrations of these defects and doped elements; the stability of the ferromagnetic state compared with the spin-glass state has been discussed. The result of electronic properties shows that codoped GaAs material with Fe and Co become ferromagnetic, also doped GaAs with Co or Fe with a defect (hole in Ga) is stable in the ferromagnetic state.

The Curie temperature is estimated from the total energy difference between the Disorder Local Moment (DLM) and the (FM) state by using a mapping on the Heisenberg model in mean field approximation.

Keywords

Ab-initio Acceptor Donor Doped Codoped Point defect Ferromagnetic Spin-glass Curie temperature 

Copyright information

© Springer Science+Business Media New York 2013

Authors and Affiliations

  • H. Zaari
    • 1
  • M. Boujnah
    • 1
  • H. Labrim
    • 2
  • B. Khalil
    • 1
  • A. Benyoussef
    • 1
    • 3
    • 4
  • A. El Kenz
    • 1
  1. 1.LMPHE (URAC 12), Faculté des SciencesUniversité Mohammed V-AgdalRabatMorocco
  2. 2.Centre National de l’Energie, des sciences et des Techniques Nucléaires (CNESTEN)RabatMorocco
  3. 3.Institute of Nanomaterials and NanotechnologyMAScIRRabatMorocco
  4. 4.Hassan II Academy of Science and TechnologyRabatMorocco

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