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李万俊  方亮  秦国平  阮海波  孔春阳  郑继  卞萍  徐庆  吴芳 《物理学报》2013,62(16):167701-167701
采用基于密度泛函理论的第一性原理赝势法对Ag-N共掺杂ZnO体 系以及间隙N和间隙H掺杂p型ZnO: (Ag, N)体系的缺陷形成能和离化能进行了研究. 结果表明, 在AgZn和NO所形成的众多受主复合体中, AgZn-NO受主对不仅具有较低的缺陷形成能同时其离化能也相对较小, 因此, AgZn-NO受主对的形成是Ag-N共掺ZnO体系实现p型导电的主要原因. 研究发现, 当ZnO: (Ag, N)体系有额外间隙N原子存在时, AgZn-NO受主对容易与Ni形成AgZn-(N2)m O施主型缺陷, 该施主缺陷的形成降低了Ag-N共掺ZnO的掺杂效率因而不利于p型导电. 当间隙H引入到ZnO: (Ag, N)体系时, Hi易与AgZn-NO受主对形成 受主-施主-受主复合结构(AgZn-Hi-NO), 此复合体的形成不仅提高了AgZn-NO受主对在ZnO中的固溶度, 同时还能使其受主能级变得更浅而有利于p型导电. 因此, H辅助Ag-N共掺ZnO可能是一种有效的p型掺杂手段. 关键词: p型ZnO 缺陷形成能 受主离化能 第一性原理  相似文献   
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Finite elements methods are used to investigate the thermal-electrical characteristics of gallium-nitride (GaN) light-emitting diodes (LEDs) with different transparent conductive layers (TCLs) and buried depths of electrodes, where the transparent conductive layers include indium tin oxide (ITO), graphene (Gr) and the combination of them (ITO/Gr). The optimal material parameters and the precision and accuracy of the simulation model are validated. Moreover, the parameters' sensitivity analysis is carried out as well. The results indicate that the LED with the TCL of a lO0-nm ITO or 4-1ayer Gr has a good thermal-electrical performance from the viewpoint of the maximum temperature and the current density deviation of multiple quantum well (MQW), where the maximum temperature occurs at the n-Pad rather than p-Pad. The compound TCL with a 20-nm ITO and 3- layer Gr reaches a thermal-electrical performance better than that of a lO0-nm ITO or 4-layer Gr. Moreover, their maximum temperatures decrease about -0.43% and 1.21%, and the current density uniformities increase up to -6.09% and 17.41%, respectively. Furthermore, when the electrode buried depth is 0.51 μm, the thermal-electrical performance of the GaN LEDs can be further improved.  相似文献   
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采用射频磁控溅射法在富氧环境下制备ZnO薄膜, 继而结合N离子注入及热退火实现薄膜的N掺杂及p 型转变, 借助霍尔测试和拉曼光谱研究了N离子注入富氧ZnO薄膜的p型导电及拉曼特性. 结果表明, 在 600 ℃温度下退火120 min可获得性能较优的p-ZnO: N薄膜, 其空穴浓度约为2.527×1017 cm-3. N离子注入ZnO引入了三个附加拉曼振动模, 分别位于274.2, 506.7和640.4 cm-1. 结合电学及拉曼光谱的分析发现, 退火过程中施主缺陷与N受主之间的相互作用对p-ZnO的形成产生重要影响.  相似文献   
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First-principles calculations based on spin density functional theory are performed to study the spin-resolved electronic properties of ZnO codoped with Cu and N. (Cu, N)-codoped ZnO exhibits magnetism, and the total magnetic moment mainly originates from the p-d hybridization of Cu-N and Cu-O as well as p-p coupling interaction between N and O at the Fermi level. The Zn34Cu2O35N1 favors energetically a ferromagnetic ground state due to the existence of stable Cu-N-Cu complex. These results imply that the (Cu, N)-codoped ZnO is a promising dilute magnetic semiconductor free of magnetic precipitates, which could broaden the horizon of currently known magnetic systems.  相似文献   
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采用射频磁控溅射法在石英玻璃衬底上制备了ZnO:Mn薄膜, 结合N+ 注入获得Mn-N共掺ZnO薄膜, 进而研究了退火温度对其结构及室温铁磁性的影响. 结果表明, 退火后ZnO:(Mn, N) 薄膜中Mn2+和N3-均处于ZnO晶格位, 没有杂质相生成. 退火温度的升高 有助于修复N+注入引起的晶格损伤, 同时也会让N逸出薄膜, 导致受主(NO)浓度降低. 室温铁磁性存在于ZnO:(Mn, N)薄膜中, 其强弱受NO浓度的影响, 铁磁性起源可采用束缚磁极化子模型进行解释.  相似文献   
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