Acta Optica Sinica, Volume. 26, Issue 8, 1203(2006)
First-Principles Calculation of Electronic Structure and Optical Properties of ZnO
[1] [1] Br M, J. Reichardt, A.Grimm et al.. Zn(O,OH) layers in chalcopyrite thin-film solar cells: Valence-band maximum versus composition[J]. J. Appl. Phys., 2005, 98(5): 053702-1~053702-8
[2] [2] Hyun-Jin Kim, Ho-Nyeon Lee, Jae-Chel Park et al.. The mechanism of improvement of contact resistivity in TFT-LCDs between IZO layers and Al-based metal lines by diffusion of Mo atoms[J]. Curr. Appl. Phys., 2002, 2(6): 451~454
[7] [7] M. D. Segall, J. D. Philip Lindan, M. J. Probert et al.. First-principles simulation: ideas, illustrations and the castep code[J]. J. Phys .Cond. Matt., 2002, 14(11): 2717~2744
[9] [9] U. Rssler. Energy bands of hexagonal Ⅱ-Ⅵ semiconductors[J]. Phys. Rev., 1969, 184(3): 733~738
[10] [10] Yong-Nian Xu, Ching W Y. Electronic, optical, and structure properties of some wurtzite crystals[J]. Phys. Rev. B, 1993, 48(7): 4335~4351
[11] [11] Andrea Dal Corso, Michel Posternak, Raffaele Resta et al.. An initio study of piezoelectricity and spontaneous polarization in ZnO[J]. Phys. Rev. B, 1994, 50(15): 10715~10719
[13] [13] W. Y. Ching, Yongnian Xu, K. W. Wong. Ground-state and optical properties of Cu2O and CuO cryatals[J]. Phys. Rev. B, 1998, 40(11): 7684~7695
[14] [14] R. L. Hengehold, R. J. Almassy, F. L. Pedrotti. Electron energy-loss and ultraviolet-refletivity spectra of crystalline ZnO[J]. Phys. Rev. B, 1970, 1(12): 4784~4790
[15] [15] John L. Freeouf. Far-ultraviolet reflectance of Ⅱ-Ⅵ compounds and correlation with the penn-phillips gap[J]. Phys. Rev. B, 1973, 7(8): 3810~3830
[16] [16] R. L. Hengehold, F. L. Pedrotti. Plasmon excitation energies in ZnO, CdO and MgO[J]. J. Appl. Phys., 1976, 47(1): 287~291
[17] [17] H. C. Ong, J. Y. Dai, G. T. Du. Studies of electronic structure of ZnO grain boundary and its proximity by using spatially resolved electron energy loss spectroscopy[J]. Appl. Phys. Lett., 2002, 81(2): 277~279
[18] [18] S. J. Pearton, D. P. Norton, K. Ip et al.. Recent progress in processing and properties of ZnO[J]. Progress in Materials Science, 2005, 50(3): 293~340
[19] [19] R. Matz, H. Lǔ. Ellipsometric spectroscopy of the ZnO nonpolar (1100) surface[J]. Appl. Phys., 1979, 18(4): 123~130
[20] [20] K. Postava, H. Sueki, M. Aoyama et al.. spectroscopic ellipsometry of epitaxial ZnO layer on sapphire substrate[J]. J. Appl. Phys., 2000, 87(11): 7820~7824
[21] [21] Hisashi Yoshikawa, Sadao Adachi. Optical constants of ZnO[J]. Jpn. J. Appl. Phys., 1997, 36(1): 6237~6243
[22] [22] Walter A. Harrison. Elcronic Structure and the Properties of Solids[M]. New York: Dover press, 1989. 121~160
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[in Chinese], [in Chinese], [in Chinese], [in Chinese]. First-Principles Calculation of Electronic Structure and Optical Properties of ZnO[J]. Acta Optica Sinica, 2006, 26(8): 1203