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Mn掺杂浓度对Mn:MgAl_2O_4电子结构和光学性质的影响 被引量:1
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作者 李美玲 孙凤久 《材料导报》 EI CAS CSCD 北大核心 2009年第16期1-4,共4页
采用密度泛函理论(DFT)的平面波超软赝势(PW-USP)和广义梯度近似(GGA)对不同锰离子掺杂浓度的掺杂镁铝尖晶石晶体Mg1-xMnxAl2O4(x=0、0.125、0.5)的晶体结构、电子结构和光学性质进行了计算。解释了锰离子掺杂浓度使晶格常数变化的微观... 采用密度泛函理论(DFT)的平面波超软赝势(PW-USP)和广义梯度近似(GGA)对不同锰离子掺杂浓度的掺杂镁铝尖晶石晶体Mg1-xMnxAl2O4(x=0、0.125、0.5)的晶体结构、电子结构和光学性质进行了计算。解释了锰离子掺杂浓度使晶格常数变化的微观机制;分析了锰离子掺杂浓度对电子结构和光学系数的影响。结果表明,锰离子掺杂浓度的增加使掺杂晶体的带隙降低,价带变窄,杂质能级展宽。掺杂晶体的导带对掺杂浓度的变化较为敏感。锰掺杂使可见光区吸收增大,且掺杂浓度越高可见光区光学吸收越强,起吸收边越向长波方向移动,即发生红移,与实验结果一致。 展开更多
关键词 MGAL2O4 锰掺杂浓度 DFT 电子结构 光学性质
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Influence of Mn-doping concentration on the microstructure and magnetic properties of ZnO thin films 被引量:1
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作者 吴兆丰 郭磊 +2 位作者 程鲲 张峰 关荣锋 《Optoelectronics Letters》 EI 2016年第1期52-55,共4页
The microstructure and magnetic properties of Mn-doped ZnO films with various Mn contents,synthesized by magnetron sputtering at room temperature,are investigated in detail.X-ray diffraction(XRD) measurement results s... The microstructure and magnetic properties of Mn-doped ZnO films with various Mn contents,synthesized by magnetron sputtering at room temperature,are investigated in detail.X-ray diffraction(XRD) measurement results suggest that the doped Mn ions occupy the Zn sites successfully and do not change the crystal structure of the ZnO films.However,the microstructure of the Mn-doped ZnO films apparently changes with increasing the Mn concentration.Arrays of well-aligned nanoscale rods are found in the Mn-doped ZnO films with moderate Mn concentrations.Magnetic measurement results indicate that the ZnO films doped with moderate Mn concentration are ferromagnetic at room temperature.The possible origin of the ferromagnetism in our samples is also explored in detail. 展开更多
关键词 Crystal structure FERROMAGNETISM Magnetic properties MAGNETISM Manganese oxide Metallic films MICROSTRUCTURE Semiconductor doping Thin films X ray diffraction Zinc oxide
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