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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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Based on the analysis and the discussion of the influence of thermal ionization energy and various scatterings on magnetoresistance(MR) of p-type diamond films, a revised model of valence band split-off over temperature is put forward, and a corresponding calculation formula is given for the MR of p-type diamond films (Corbino discs). It is shown that the theoretical calculation that the MR of diamond films changes with temperature is consistent with the experiment. The influence of Fermi energy level on MR of diamond films is discussed. Additionally, the thermal effect mechanism of MR in p-type diamond films is also explored. 相似文献
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Effect of Post-Annealing on Microstructural and Electrical Properties of N^+Ion-Implanted into ZnO:In Films 下载免费PDF全文
We fabricate p-type conductive ZnO thin films on quartz glass substrates by codoping of In-N using radio frequency magnetron sputtering technique together with the direct implantation of acceptor dopants (nitrogen). The effects of thermal annealing on the structure and electrical properties of the ZnO films are investigated by an x-ray diffractometer (XRD) and a Hall measurement system. It is found that the best p-type ZnO film subjected to annealed exhibits excellent electrical properties with a hole concentration of 1.22 × 10^18 cm^-3, a Hall mobility of 2.19 cm^2 V^-1 s^- 1, and a low resistivity of about 2.33 Ωcm, indicating that the presence of In may facilitates the incorporation of N into ZnO thin films. 相似文献
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The Hamiltonian of the four-body problem for a lithium atom is expanded in series. The level shift and level formula of a lithium atom in Rydberg states are achieved by means of the calculation of polarization of the atomic core (including the contribution of dipole, quadrupole and octupole components). We also consider the effect of relativity theory, the orbital angular momentum L and the spin angular momentum S coupling scheme (LS coupling) and high-order correction of the effective potential to the level shift. The fine structure splitting (N=5-12, L=4-9, J=L±1/2) and level intervals in Rydberg states have been calculated by the above-mentioned formula and compared with recent experimental data. 相似文献
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由于有机电致发光器件(Organic light-emitting devices,OLEDs)的主动发光、高亮度等优点,在显示和照明领域有极大的应用前景。报道了纳米ZnO薄膜对这种发光器件性能的影响。在普通有机电致发光器件空穴传输层和发光层之间直接蒸镀一层纳米ZnO薄膜,当纳米ZnO薄膜的厚度为1nm时,器件的电流效率可达3.26cd/A,是没有纳米ZnO薄膜同类器件的1.24倍。适当厚度的纳米ZnO薄膜降低了发光层空穴的浓度,提高了电子和空穴的平衡,从而提高了器件的效率。 相似文献
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Indium-doped ZnO(ZnO:In) films are deposited on quartz substrates by rf magnetron sputtering. The effects of post-annealing on structural, electrical, optical and Raman properties are investigated by x-ray diffraction,Raman scattering, Hall measurement and first-principles calculation. The results indicate that all of the ZnO:In films have excellent crystallinity with a preferred ZnO(002) orientation. It is found that the incorporation of In can dramatically increase the intensity of the 274 cm~(-1) Raman mode. However, both post-annealing treatment and increasing O_2 partial pressure in the process of preparing thin films can reduce the intensity of the 274 cm~(-1) mode or even eliminate it, and relax compressive stress of the ZnO:In film judged by analyzing the shifts of the(002) Bragg peaks and E_2(high) mode. Finally, the origin of the 274 cm~(-1) mode is inferred to be the vibration of Zn interstitial(Zni) defects, which play a crucial role in the high electron concentration and low resistivity of ZnO:In films annealed in an appropriate temperature range(450–600℃). 相似文献
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