Ferromagnetism in Nitrogen Doped Magnesium Oxide: a First Principle Study
| Автори | V. Sharma , J.E. Lowther |
| Приналежність | School of Physics and DST/NRF Centre of Excellence in Strong Materials, University of the Witwatersrand, Johannesburg, 2050 South Africa |
| Е-mail | vinit.sharma.mlsu@gmail.com |
| Випуск | Том 3, Рік 2011, Номер 1, Part 3 |
| Дати | Received 04 February 2011, in final form 15 June 2011, published online 22 June 2011 |
| Посилання | V. Sharma, J.E. Lowther, J. Nano- Electron. Phys. 3 No1, 453 (2011) |
| DOI | |
| PACS Number(s) | 75.50.Pp, 71.20.Nr, 75.50.Dd, 61.72.uj, 81.05.Dz |
| Ключові слова | Nonmetallic ferromagnetic materials (2) , First principle calculations (2) , Magnetic semiconductors (6) , Density functional theory (5) , Wide band gap semicondcutors. |
| Анотація |
The formation of magnetic moment in the p-orbital doped semiconductors is named d0 magnetism, where the ion without partially filled d states is found to be responsible for the magnetism. To study origin of magnetism in such p-orbital doped semiconductors, we report a theoretical investigation of electronic and magnetic properties of N doped MgO, with and without an oxygen vacancy. The first principle calculations have been performed using ab initio total energy calculations with in generalized gradient approximation (GGA) as embodied in projector augmented wave (PAW) method. Our results suggest that without other defects, the oxygen vacancy does not reflect magnetism. It is observed that when N, substitutes for oxygen, it shows spontaneous magnetization and affect the magnetic moment of dopant. Although, the total magnetic moment of the system is independent of the presence of oxygen vacancies and found to be 1 μB. |
|
Перелік посилань |
Інші статті цього номера
1) Optical, Electrical and Raman Properties of Annealed Hydrogenated Mg/Co Bilayer Thin Films [0460-0468]2) Density Functional Modelling of Elastic Properties of Elemental Semiconductors [0469-0473]
3) Effect of Grain Size on the Threshold Voltage for Double-Gate Polycrystaline Silicon MOSFET [0474-0478]
4) Electrical Set-Reset Phenomenon in Thallium Doped Ge-Te Glasses Suitable for Phase Change Memory Applications [0479-0485]
5) Studies on Electrochemical Deposition and Characterization of Co3O4 Films [0486-0498]
6) Dependence of Structural, Electrical, Optical and Surface Morphological Properties of Sol-Gel Spin Coated CdO Thin Films on the Process Temperature [0499-0506]
7) Growth Structural and Optical Properties of the Thermally Evaporated tin Diselenide (SnSe2) Thin Films [0507-0513]
8) Synthesis and Electroluminescence Characterization of Cadmium Complex [0514-0520]
9) Optoelectric Properties of Thermally Evaporated ClAlClPc Thin Films [0521-0528]
10) Theoretical Study on the Electrical Properties of Some Semiconducting Rare Earth Chalcogenides Sm1-xEuxS and Sm1-xYbxS Under Pressure [0529-0535]
11) Study of Charge Transfer in Semiconducting Rare Earth Chalcogenide Thulium Telluride (TmTe) [0536-0541]
12) Inprovement of Field Emission Properties of PBS Thin Films by Amorphous Carbon Coating [0542-0550]
13) Effect of Number of Filaments on the Structure, Composition and Electrical Properties of µc-Si:h Layers Deposited Using HWCVD Technique [0551-0557]
14) Electrical Characterization of Electron Beam Evaporated Cd1-xSex Thin Films [0558-0562]
15) Optical Behaviour of ZnO/Au Nanojunctions [0563-0568]
16) Two Dimensional Analytical Modeling for SOI and SON MOSFET and Their Performance Comparison [0569-0575]
17) Two-Dimensional Analytical Modeling of Threshold Voltage of Doped Short-Channel Triple-Material Double-Gate (Tm-Dg) MOSFET's [0576-0583]
18) Effect of Radial and Axial Deformation on Electron Transport Properties in a Semiconducting Si-C Nanotube [0584-0589]
19) Nanostructured Hydrogenated Silicon Films by Hot-Wire Chemical Vapor Deposition: the Influence of Substrate Temperature on Material Properties [0590-0600]
20) Laser Induced Nonlinear Optical Properties of Zinc Oxide Thin Film Prepared by Sol-Gel Method [0601-0609]
21) Magnetic and Electric Properties of Semiconduter Bismuth tri Sulphide (Bi2S3) Grown by gel Method [0610-0619]
22) Structural properties of nickel doped cadmium sulfide [0620-0625]
