Ferromagnetism in transition-metal doped ZnS

Abdelaziz Lakdja 1,  Habib Rozale 1,  Abdelkader Lazreg 1,  Pierre Ruterana 2

1. Modelling and Simulation in Materials Science Laboratory (MSMSL), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000, Algeria
2. CIMAP, CNRS-ENSICAEN-CEA-UCBN, 6 Boulevard Maréchal Juin, Caen 14050, France

Abstract

We report a first-principles investigation of the electronic properties of ZnXS in the hexagonal-wurtzite phase, where X = Cr, Mn, Fe and Co with 12.5% of concentration. The calculations are made by the full potential linearized augmented plane waves method (FP-LAPW) with the local spin density approximation (LSDA). we study the local density of states of the magnetic ions and the host semiconductor and the magnetic exchange interactions as a function of transition-metal ion. Our results show a half-metallic behavior for Cr, Fe and Co impurities while for Mn the material keeps its semiconducting behavior. The band structure calculations show d-dominated impurities bands in the gap, which hybridize strongly with the p-S states.

 

Legal notice
  • Legal notice:

    Copyright (c) Pielaszek Research, all rights reserved.
    The above materials, including auxiliary resources, are subject to Publisher's copyright and the Author(s) intellectual rights. Without limiting Author(s) rights under respective Copyright Transfer Agreement, no part of the above documents may be reproduced without the express written permission of Pielaszek Research, the Publisher. Express permission from the Author(s) is required to use the above materials for academic purposes, such as lectures or scientific presentations.
    In every case, proper references including Author(s) name(s) and URL of this webpage: http://science24.com/paper/18310 must be provided.

 

Related papers
  1. Investigation of InN layers grown by molecular beam epitaxy on Si or GaN templates
  2. Structural properties of InAlN thin layers for HEMT applications
  3. Low frequency noise measurements in InN films
  4. The microstructure and properties of InN layers
  5. Role of threading dislocations on Indium distribution in InGaN alloys
  6. Optical properties of InN grown on Si(111) substrate
  7. Electronic and magnetic properties of Co-doped ZnO: first principles study
  8. Method of Manganese co-doping of LT ZnO films
  9. Formation of precipitates in Mn doped ZnO layers deposited by magnetron sputtering
  10. The structure of nucleation Zn(Al)O layers for transparent metal oxide application
  11. First-principles calculations of the optical band-gap properties of Mg1-xZnxO alloys
  12. Theoretical studies of ZnS1-xOx alloy band structures
  13. FE and MD simulation of InGaN QD formation induced by stress field of threading dislocations
  14. Strain Relaxation Effect on the Properties of Ultra Thin ZnO Film on Sapphire (0001) Substrates by Pulsed Laser Deposition
  15. Low and high indium fluctuation in MOCVD grown InGaN/GaN as determined by quantitative HRTEM
  16. Finite element modelling of nonlinear elastic and piezoelectric properties of InN and InGaN QDs
  17. Structural analysis of the behaviour of the ultrathin AlN capping layer interface during the RE implantation and annealing of GaN for electroluminescence applications
  18. Energy and electronic structure of gallium and nitrogen interstitials in GaN Tilt Boundaries
  19. Investigation of InN layers grown by MOCVD and MBE using analytical and high resolution TEM
  20. Interfacial diffusion and precipitation in rf magnetron sputtered Mn doped ZnO layers
  21. The atomic configuration of tilt grain boundaries around <0001> in GaN
  22. First principles study of electronic structure of InN and AlN substitution atomic layers embedded in GaN
  23. Full-potential study of d-electrons effects on the electronic structure of wurtzite and zinc-blende InN
  24. Image processing of HREM micrograph for determination size distribution of Co nanocrystals in Cu matrix
  25. Quantitative study of Cd atoms distribution in CdTe/ZnTe quantum dots superlattice by HRTEM
  26. The atomic structure of defects formed during doping of GaN with rare earth ions
  27. Transmission electron microscopy structural investigations of Tm implanted GaN
  28. Study of photo- and electro-luminescence related with Er3+ ions in GaN:Er
  29. Quantitative transmission electron microscopy investigation of localised stress in heterostructures
  30. Modelling of indium rich clusters in MOCVD InGaN/GaN multilayers

Presentation: Poster at E-MRS Fall Meeting 2009, Symposium E, by Abdelaziz Lakdja
See On-line Journal of E-MRS Fall Meeting 2009

Submitted: 2009-05-09 17:39
Revised:   2009-06-07 00:48