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采用基于密度泛函理论(DFT)的第一性原理平面波赝势法(PWP)计算Mn掺杂GaN(Ga1-xMnN)晶体的电子结构及光学性质,详细讨论掺杂后电子结构的变化.计算表明,Mn掺杂GaN使得Mn 3d与N 2p轨道杂化,产生自旋极化杂质带,Ga1-xMnxN表现为半金属性,非常适于自旋注入,说明该种材料是实现自旋电子器件的理想材料.另结合实验结果分析掺杂后体系的光学性质,发现吸收谱在1.3 eV处出现吸收峰,吸收系数随Mn2+浓度增加而增大.分析表明,该峰是源于Mn2+离子e态与t2态间的带内跃迁. 相似文献
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采用基于密度泛函理论的第一性原理平面波赝势法计算Mg,Zn,Si,O和Mn共掺GaN,分析比较共掺杂后的电子结构和磁学性质,并分别用平均场近似的海森伯模型和Zener理论估算共掺杂后体系的居里温度(TC).计算表明:共掺杂后体系均在能隙深处产生自旋极化杂质带,具有半金属性,能产生自旋注入.p型共掺杂(GaN:Mn-Mg\Zn)后体系具有较GaN:Mn更稳定的FM态且能使TC升高;而n型共掺杂(GaN:Mn-Si\O)后体系FM态稳定性
关键词:
Mg
Zn
Si
O和Mn共掺GaN
第一性原理
TC)')" href="#">居里温度(TC) 相似文献
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GaMnN/GaN multilayers and conventional GaMnN single layers are grown by metal-organic chemical vapor deposition. Both kinds of samples show room-temperature ferromagnetism. After thermal annealing, the sample with GaMnN/GaN multilayer structure displays a larger coercivity and better thermal stability compared to the GaMnN single layer. The annealing effects on Vca related defects are observed from photoluminescenee measurements. Moreover, a different magnetic behavior is also found in the annealed GaMnN films grown on different (n-type GaN and p-type GaN) templates. These kinds of structure-dependent magnetic behaviors indicate that defects or carriers transformation introduced during annealing may have important effects on the electronic structure of Mn ions and on the ferromagnetism. Our work may be helpful for further understanding the origin of ferromagnetism in GaN-based diluted magnetic semiconductors. 相似文献
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The properties of GaMnN lms grown by metalorganic chemical vapour deposition using Raman spectroscopy 下载免费PDF全文
An investigation of room-temperature Raman scattering is carried out on ferromagnetic semiconductor GaMnN films grown by metalorganic chemical vapour deposition with different Mn content values. New bands around 300 and 669 cm-1, that are not observed in undoped GaN, are found. They are assigned to disorder-activated mode and local vibration mode (LVM), respectively. After annealing, the intensity ratio between the LVM and E2(high) mode, i.e., ILVM=IE2(high), increases. The LO phonon-plasmon coupled (LOPC) mode is found in GaMnN, and the frequency of the LOPC mode of GaMnN shifting toward higher side is observed with the increase in the Mn doping in GaN. The ferromagnetic character and the carrier density of our GaMnN sample are discussed. 相似文献
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Mid-gap photoluminescence and magnetic properties of GaMnN films grown by metal–organic chemical vapor deposition 下载免费PDF全文
Metal-organic chemical vapor deposition (MOCVD) grown ferromagnetic GaMnN films are investigated by photo- luminescence (PL) measurement with a mid-gap excitation wavelength of 405 nm. A sharp PL peak at 1.8 eV is found and the PL intensity successively decreases with the addition of Mn, in which the Mn concentration of sample A is below 1% ([Mn]A =0.75%) but its PL intensity is stronger than other samples'. The 1.8-eV PL peak is attributed to the recombination of electrons in the t2 state of the neutral Mn3+ acceptor with holes in the valence band. With Mn concentration increasing, the intensity of the PL peak decreases and the magnetic increment reduces in our samples. The correlation between the PL peak intensity and ferromagnetism of the samples is discussed in combination with the experimental results. 相似文献
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Role of vacancy-type(N vacancy(VN) and Ga vacancy(VGa)) defects in magnetism of GaMnN is investigated by first-principle calculation.Theoretical results show that both the VNand VGainfluence the ferromagnetic state of a system.The VNcan induce antiferromagnetic state and the VGaindirectly modify the stability of the ferromagnetic state by depopulating the Mn levels in GaMnN.The transfer of electrons between the vacancy defects and Mn ions results in converting Mn~(3+)(d~4) into Mn~(2+)(d5).The introduced VNand the ferromagnetism become stronger and then gradually weaker with Mn concentration increasing,as well as the coexistence of Mn~(3+)(d~4) and Mn~(2+)(d~5) are found in GaMnN films grown by metal–organic chemical vapor deposition.The analysis suggests that a big proportion of Mn~(3+)changing into Mn~(2+)will reduce the exchange interaction and magnetic correlation of Mn atoms and lead to the reduction of ferromagnetism of material. 相似文献
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A feasible and convenient method is proposed to suppress higher-harmonics for a varied-line-spacing plane grating monochromator in the soft X-ray region. Related calculations and experiments demonstrate that decreasing the included angle slightly by changing the parameter of the exit arm length can significantly improve light purity. This method is suitable and has been used for experiments of detector calibration in beamline 4B7B at the Beijing Synchrotron Radiation Facility (BSRF). 相似文献