Experimental and theoretical investigations on ferromagnetic properties of N-doped ZnO dilute magnetic semiconductors
会议名称：《2012中国功能新材料学术论坛暨第三届全国电磁材料及器件学术会议》
会议日期：2012年
学科分类：080903[工学-微电子学与固体电子学] 0809[工学-电子科学与技术（可授工学、理学学位）] 08[工学] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学]
关 键 词：ZnO diluted magnetic semiconductor doping
摘 要：Nitride-doped ZnO bulk samples were prepared by solid-state reaction method. Structural,magnetic,and optical properties of ZnNOsamples have been studied. The ZnO lattice parameters a and c increase with the increase of the N *** dependence of the lattice constants on N concentration indicates that residual N atoms should be reasonably substituted for 0 atoms in ZnO *** magnetic coercivities of N-doped ZnO samples vary from 60 Oe to 200 Oe,depending on the N concentration,indicating that the films are ferromagnetic at room *** saturation magnetization(M)of the N-doped ZnO films increases remarkably with the N concentration x. Electronic structures of N-doped ZnO were calculated by using the first-principle density-functional theory.A Monkhorst-Pack grid with parameters of 3×3×2 was used for irreducible Brillouin zone *** grid of 3×3×2 k points was employed, together with an energy cutoff of 400 eV. Based on the unit cell,3×3×2 supercells of ZnO were constructed,Comparing with the partial DOS of ZnNO,The electronic structure indicates that the energy level splitting is enlarged significantly near the Fermi level for ZnNO-Vsystem. It is may due to the enhancement of coupling between the p orbitals of N and O atoms near the Fermi level.