Journal of Materials Science

, Volume 50, Issue 3, pp 1446–1456 | Cite as

Electronic and magnetic properties of Fe(Mn)-doped Cd and Zn nitrides for spintronic applications: a first-principles study

  • M. Mohamed Sheik Sirajuddeen
  • I. B. Shameem Banu
Original Paper
First Online:
Received:
Accepted:

Abstract

The investigations on the half-metallic ferromagnetic property for Fe(Mn)-doped CdN and ZnN have been reported in this work. We performed electronic band structure calculations using full-potential linear augmented-plane-wave method. Fe(Mn) were substituted into the host compounds in doping concentration of 37.5 % to replace Cd and Zn atoms in CdN and ZnN, respectively. After doping, the compounds are found to exhibit half-metallic ferromagnetism. Electronic band structure, density of states, and magnetic properties were studied in this work. The p–d hybridization between the doped transition metal-d bands and N-p bands that leads to exchange splitting has been discussed to bring out the differences in the half-metallic character of the doped compounds. The degree of half-metallic nature in terms of spin polarizations has been predicted. The calculated magnetic moments for the doped half-metallic ferromagnets are found to decrease with spin polarization. The doped half-metallic materials are found to exhibit direct band gap.

Keywords

Spin Polarization Exchange Splitting Spin Magnetic Moment Spintronic Application Mono Nitrides 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
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Notes

Acknowledgements

The authors thankfully acknowledge Prof. P. Blaha and Prof. K. Schwarz of Vienna, Austria for providing WIEN2k code for our work in this paper.

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Copyright information

© Springer Science+Business Media New York 2014

Authors and Affiliations

  • M. Mohamed Sheik Sirajuddeen
    • 1
  • I. B. Shameem Banu
    • 1
  1. 1.Department of PhysicsB.S. Abdur Rahman UniversityChennaiIndia

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