First principle study of the effect of co substitution on the magnetic and electronic properties of wz-ZnO

International Journal of Physical Sciences

Volumn 6, Issue 5, 2011, Pages 1112-1117

  Benam, M R ^a   Hezari, M ^a   Shayan, F ^a  

^a PAYAME NOOR UNIVERSITY   (Iran)

Author keywords

Density functional theory; Electronic properties; Full potential; Pseudopotential; Zinc oxide

Indexed keywords

EID: 79956191030     PISSN: 19921950     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (25)

1. Ohno H, Munekata H, Penney T, von Molnar S and Chang LL (1992). Magnetotransport properties of p-type (In, Mn)As diluted magnetic III-V semiconductors, Phys. Rev. Lett,. 68: 2664.
2. Furdyna JK (1988). Diluted magnetic semiconductors, J. Appl. Phys., 64: R29-R64.
3. Ohno H (1998). Making Nonmagnetic Semiconductors Ferromagnetic, Sci., 281: 951.
4. Datta S, Das B (1990). Electronic analog of the electro-optic modulator, Appl. Phys. Lett. 56: 665-7.
5. Look DC (2001). Recent advances in ZnO materials and devices, Mater. Sci. Eng., 80: 383.
6. Dietl T, Ohno H, Matsukara F, Cibert J, Ferrand D (2000). Zener Model Description of Ferromagnetism in Zinc-Blende Magnetic Semiconductors, Sci., 287: 1019.
7. Sluiter MHF, Kawazoe Y, Sharma P, Inoue AR, Raju RC, Waghmare UV (2005). First-principles based design and experimental evidence for a ZnO-based Ferromagnet at Room Temperature, Phys. Rev. Lett., 94: 187204.
8. Bruno P and Sandratskii LM (2006). Exchange interactions in ZnMeO (Me = Mn, Fe, Co, Ni): Calculations using the frozen-magnon technique, Phys. Rev. B73: 045203.
9. Pearton SJ, Abernathy CR, Overberg ME, Thaler GT, Norton DP, Theodoropoulou N (2003). Wide band gap ferromagnetic semiconductors and oxides, J. Appl. Phys., 93: 1-13.
10. Decremps F, Datchi F, Saitta AM, Polian A, Pascarelli S, DiCicco A, Itie JP, Baudelet F (2003). Local structure of condensed Zinc Oxide, Phys. Rev., B68: 104101.
11. Payne MC, Teter MP, Allan DC, Allan T A, Joannopoulos JD (1992). Iterative Minimization Techniques for Ab Initio Total Energy Calculations: Molecular Dynamics and Conjugate Gradients, Rev. Mod. Phys., 64: 1045-97.
12. Hohenberg P, Kohn W (1964). Inhomogeneous electron gas, Phys. Rev., 136B: 864.
13. Kohn W, Sham LJ (1965). Self-consistent equations including exchange and correlation effects, Phys. Rev., 140: A1133.
14. Perdew JP, Perdew K, Ernzerhof M (1996). Generalized Gradient Approximation Made Simple, Phys. Rev. Lett., 77: 3865.
15. Ordejon P, Artacho E, Soler JM (1996). Self-consistent order-N density-functional calculations for very large systems, Phys. Rev., B53: R10441.
16. Blaha P, Schwarz K, Madsen GKH, Kvasnicka D, Luitz JW (2001). An Augmented Plane Wave Plus Local Orbital Program for Calculating Crystal Properties, Vienna University of Technology Vienna, Austria.
17. Schwarz K (2003). DFT calculations of solids with LAPW and WIEN2k. J. Solid State Chem., 176: 319-328.
18. Troullier N, Martins JL (1990). A Straightforward Method for Generating Soft Transferable Pseudopotentials, Sol. Sta. Comm., 74: 613.
19. Troullier N and Martins JL (1991). Efficient Pseudopotentials for Plane-Wave Calculations. Phys. Rev., B43: 1993.
20. Sankey OF and Niklewski DJ (1989). Ab initio multicenter tight-binding model for molecular-dynamics simulations and other applications in covalent systems, Phys. Rev., B40: 3979.
21. Schleife A, Fuchs F, Furthmüller J, Bechstedt F (2006). First-principles studies of ground- and excited-state properties of MgO, ZnO, and CdO polymorphs, Phys. Rev., B73: 245212.
22. Topsakal M, Cahangirov S, Bekaroglu E (2009). First-principles study of zinc oxide honeycomb structures, Phys. Rev., B 80: 235119.
23. Pan F, Song C, Liu XJ, Yang YC, Zeng F (2008). Ferromagnetism and possible application in spintronics of transition-metal-doped ZnO films, Mater. Sci. Eng. R: Reports, 62(1): 1-35.
24. Rode K, Anane A, Mattana R, Contour JP, Durand O, LeBourgeois R (2003). Magnetic semiconductors based on cobalt substituted ZnO, J. Appl. Phys., 93: 7676.
25. Dinia A, Schmerber G, Pierron-Bohnes V, Mény C, Panissod P, Beaurepaire E (2005). Magnetic perpendicular anisotropy in sputtered (Zn0.75Co0.25)O dilute magnetic semiconductor, J. Magn. Magn. Mater. 286: 37.