BI Yan-jun, GUO Zhi-you, LIN Zhu, DONG Yu-cheng. First-principle Research on Ferromagnetism of (Co,Mn)-codoped ZnO [J]. Chinese Journal of Luminescence, 2008,29(6): 1031-1035
BI Yan-jun, GUO Zhi-you, LIN Zhu, DONG Yu-cheng. First-principle Research on Ferromagnetism of (Co,Mn)-codoped ZnO [J]. Chinese Journal of Luminescence, 2008,29(6): 1031-1035DOI:
Spintronics is a multidisciplinary field whose central theme is the active manipulation of spin degrees of freedom in electron devices.Compared with conventional semiconductor devices
due to adding the spin degree of freedom to conventional charge-based electronic devices has the potential merits of nonvolatility
increased data processing speed
reduced electric power consumption
and added integration densities.Seeking right magnetic materials is also very important.ZnO has been recognized as a promising material for optoelectronic devices
such as ultraviolet light-emitting diodes
laser diodes
and photodetectors
owing to its wide band gap and large exciton binding energy at room temperature.Diluted magnetic semiconductors are attracting considerable attention because they are anticipated to be used in the spintronic devices.For the realization of spintronic devices
the ferromagnetic semiconductors with Curie temperature above room temperature are highly expected.At present oxide-diluted magnetic semiconductors have being a focus especially based on ZnO material.First-principle's study has already broadly been applied to the material calculation.So far
much of work has concentrated on Co-or Mn-doped ZnO and characterization of their structural
magnetic
and optical properties.However
little attention was paid to(Mn
Co)-codoped ZnO system.In this paper
the geometrical structure of pure ZnO
Co doped and(Co
Mn)-codoped 32-atom supercell of ZnO was optimized by using the ultra-soft pseudopotential method of total-energy plane wave based on the density functional theory(DFT).Density of states and band structure were calculated and discussed in detail.The results revealed that Co doped ZnO and(Co
Mn)-codoped ZnO showed ferromagnetism
however
ferromagnetism of(Co
Mn)-codoped ZnO was weaken because of Mn doping.These results will provide very good references for the experiment studies.