Co掺杂β-FeSi2电子结构及光学性质的第一性原理研究 
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[1] C. A. Dimitriadis, J. H. Werner, S. Logothetidis et al.. Electronic properties of semiconducting FeSi2 films［J］. J. Appl. Phys., 1990, 68(4): 1726～1734
[2] T. Suemasu, Y. Negishi, K. Takakura et al.. Room temperature 1.6 Mu M electroluminescence from a Si-based light emitting diode with beta-FeSi2 active region［J］. Jpn. J. Appl. Phys., 2000, 39(10B): L1013～L1015
[3] L. Martinelli, E. Grilli, D. B. Migas et al.. Luminescence from β-FeSi2 precipitates in Si. II: origin and nature of the photoluminescence［J］. Phys. Rev. B, 2002, 66(8): 085320～085328
[4] F. Katsuki, T. Toshiro, H. Nakatani et al.. Development of a thermoelectric power generation system using reciprocating flow combustion in a porous FeSi2 element［J］. Rev. Sci. Instrum., 2001, 72(10): 3996～3999
[5] D. Mangelinck, L. Wang, C. Lin et al.. Influence of the addition of Co and Ni on the formation of epitaxial semiconducting β-FeSi2: comparison of different evaporation methods［J］. J. Appl. Phys., 1998, 83(8): 4193～4201
[6] W. Bohne, G. U. Reinsperger, J. Rohrich et al.. Comparative concentration analysis of Cr and Co in FeSi2 films performed by ERDA and RBS［J］. Nucl. Instrum. Meth. B, 2000, 161~163: 467～470
[7] D. Panknin, E. Wieser, W. Skorupa et al.. Buried (Fe1-xCox)Si2 layers with variable band gap formed by ion beam synthesis［J］. Appl. Phys. A-Mater., 1996, 62(2): 155～162
[8] K. Szymanski, L. Dobrzynski, A. Andrejczuk et al.. On the preferential location of Co in β-FeSi2［J］. J. Phys.: Condens. Matter, 1996, 8(29): 5317～5324
[9] K. Irmscher, W. Gehlhoff, Y. Tomm et al.. Iron group impurities in B-FeSi2 studied by EPR ［J］. Phys. Rev. B, 1997, 55(7): 4417～4425
[10] M. Fanciulli, A. Zenkevich, G. Weyer et al.. Structural and optical properties of Fe1-xMxSi2 thin films (M=Co, Mn 0 [11] E. Wieser, D. Panknin, W. Skorupa et al.. Ion beam synthesis of ternary (Fe1-xCox)Si［J］. Nucl. Instrum. Meth. B, 1993, 80-81: 867～871 [12] 闫万珺, 谢泉. 掺杂β-FeSi2的电子结构及光学性质的第一性原理研究［J］. 半导体学报, 2008, 29(6): 1141～1146 Yan Wanjun, Xie Quan. First principle calculation of the electronic structure and optical properties of impurity-doped β-FeSi2 semiconductors［J］. Chin J. Semicond., 2008, 29(6): 1141～1146 [13] M. G. Grimaldi, C. Buongiorno, C. Spinella et al.. Luminescence from β-FeSi2 precipitates in Si. I. morphology and epitaxial relationship［J］. Phys. Rev. B, 2002, 66(8): 085319 [14] L. Martinelli, E. Grilli, D. B. Migas et al.. Luminescence from β-FeSi2 precipitates in Si. II: origin and nature of the photoluminescence［J］. Phys. Rev. B, 2002, 66(8): 085320 [15] J. Tani, H. Kido. First principle calculation of the geometrical and electronic structure of impurity-doped-FeSi2 semiconductors［J］. J. Solid State Chemistry, 2002, 163(1): 248～252 [16] 潘志军, 张澜庭, 吴建生. 掺杂半导体β-FeSi2电子结构及几何结构第一性原理研究［J］. 物理学报, 2005, 54(11): 5308～5313 Pan Zhijun, Zhang Lanting, Wu Jiansheng. A first principle study of electronic and geometrical structures of semiconducting β-FeSi2 with doping［J］. Acta Physica Sinica, 2005, 54(11): 5308～5313 [17] 崔冬萌, 谢泉, 陈茜 等. Si（001）面上外延生长的Ru2Si3电子结构及光学性质研究［J］. 光学学报, 2009, 29(11): 3152～3156 [18] 周士芸, 谢泉, 闫万珺 等. 锰掺杂二硅化铬电子结构和光学性质的第一性原理计算［J］. 光学学报, 2009, 29(10): 2848～2853 [19] 陈茜, 谢泉, 杨创华 等. 掺杂Mg2Si电子结构及光学性质的第一性原理计算［J］. 光学学报, 2009, 29(1): 229～235 [20] 张富春, 邓周虎, 阎军锋 等. ZnO电子结构与光学性质的第一性原理计算［J］. 光学学报, 2006, 26(8): 1203～1209 [21] 张富春, 张志勇, 张威虎 等. AZO(ZnOAl)电子结构与光学性质的第一性原理计算［J］. 光学学报, 2009, 29(4): 1025～1031 [22] 向东, 刘波, 顾牡 等. YTaO4和LuTaO4电子结构和光学性质的理论计算［J］. 光学学报, 2009, 29(2): 448～453 [23] 李春霞, 党随虎, 韩培德. 空位缺陷对CdS电子结构和光学性质的影响［J］. 光学学报, 2010, 30(5): 1406～1412 [24] 蔡建秋, 陶向明, 罗海军 等. Sr2RuO4各向异性光学性质的第一性原理研究［J］. 光学学报, 2010, 30(12): 3580～3585 Cai Jianqiu, Tao Xiangming, Luo Haijun et al.. Ab-initio investigation of anisotropic optical properties of Sr2RuO4［J］. Acta Optica Sinica, 2010, 30(12): 3580～3585 [25] 程正则, 徐斌, 吴四清. NaPd3O4的电子结构和光学性质［J］. 中国激光, 2009, 36(8): 2126～2129 [26] P. Y. Dusausoy, J. Protas, R. Wandji. Structure cristalline du disiliciure de fer, FeSi2 ［J］. Acta Crystallog, 1971, B27: 1209～1218 [27] M. D. Segall, J. D. Philip Lindan, M. J. Probert. First principle simulation: ideas, illustrations and the CASYEP code ［J］. J. Phys: Condense. Matter, 2002, 14(11): 2717～2744 [28] John P. Perdew, Kieron Burke. Matthias Ernzerhof. Generalized gradient approximation made simple ［J］. Phys. Rev. Lett., 1996, 77(18): 3865～3868 [29] David Vanderbilt. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism ［J］. Phys. Rev. B, 1990, 41(11): 7892～7895 [30] T. H. Fischer, J. Almlof. General methods for geometry and wave-function optimization ［J］. J. Phys. Chem., 1992, 96(24): 9768～9774 [31] H. J. Monkhorst, J. D. Pack. Special points for Brillouin-zone integrations ［J］. Phys. Rev. B, 1976, 13(12): 5188～5192 [32] 闫万珺, 谢泉, 张晋敏 等. 铁硅化合物β-FeSi2带间光学跃迁的理论研究［J］. 半导体学报, 2007, 28(9): 1381～1387 Yan Wanjun, Xie Quan, Zhang Jinmin et al.. Interband optical transitions in semiconducting iron disilicide β-FeSi2［J］. Chin. J. Semicond., 2007, 28(9): 1381～1387 [33] Z. J. Pan, L. T. Zhang, J. S. Wu. First-principles study of electronic and geometrical structures of semiconducting β-FeSi2 with doping ［J］. Mat. Sci. Eng. B-Solid, 2006, 131(1-3): 121～126 [34] D. B. Migas, L. Miglio. Band-gap modifications of β-FeSi2 with lattice distortions corresponding to the epitaxial relationships on Si (111) ［J］. Phys. Rev. B, 2000, 62(16): 11063～11070 [35] 方容川. 固体光谱学［M］. 合肥：中国科学技术大学出版社, 2001. 71～75 Fang Rongchuan. Solid-State Spectroscopy ［M］. Hefei: University of Science and Technology Press, 2001. 71～75 [36] 沈学础. 半导体光谱和光学性质［M］. 北京：科学出版社, 1992. 76～94 Shen Xuechu. Semiconductor Spectra and Optical Properties ［M］. Beijing: Science Press, 1992. 76～94
闫万珺, 周士芸, 谢泉, 桂放, 张春红, 郭笑天. Co掺杂β-FeSi2电子结构及光学性质的第一性原理研究[J]. 光学学报, 2011, 31(6): 0616003. Yan Wanjun, Zhou Shiyun, Xie Quan, Gui Fang, Zhang Chunhong, Guo Xiaotian. First Principles Study of Electronic Structure and Optical Properties for Co-doped β-FeSi2[J]. Acta Optica Sinica, 2011, 31(6): 0616003.
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