• Acta Optica Sinica
  • Vol. 33, Issue 7, 716001 (2013)
Yan Wanjun1、2、*, Zhang Chunhong1, Gui Fang1, Zhang Zhongzheng1, Xie Quan2, Guo Benhua1, and Zhou Shiyun1
Author Affiliations
  • 1[in Chinese]
  • 2[in Chinese]
  • show less
    DOI: 10.3788/aos201333.0716001 Cite this Article Set citation alerts
    Yan Wanjun, Zhang Chunhong, Gui Fang, Zhang Zhongzheng, Xie Quan, Guo Benhua, Zhou Shiyun. Electronic Structure and Optical Properties of Stressed β-FeSi2[J]. Acta Optica Sinica, 2013, 33(7): 716001 Copy Citation Text show less
    References

    [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.. Influence of Si growth temperature for embedding β-FeSi2 and resultant strain in β-FeSi2 on light emission from p-Si/β-FeSi2 particles/n-Si light-emitting diodes[J]. Appl Phys Lett, 2001, 79(12): 1804-1806.

    [3] 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, 1996, 62(2): 155-162.

    [4] M Fanciulli, A Zenkevich, G Weyer, et al.. Structural and optical properties of Fe1-xMxSi2 thin films (M=Co,Mn;0≤x≤0.20) [J]. Microelectron Eng, 2001, 55(1): 233-241.

    [5] I Nishida. Study of semiconductor-to-metal transition in Mn-doped FeSi2[J]. Phys Rev B, 1973, 7(6): 2710-2713.

    [6] Yan Wanjun, Xie Quan. First principle calculation of the electronic structure and optical properties of impurity-doped β-FeSi2 semiconductors[J]. Chinese J Semiconductors, 2008, 29(6): 1141-1146.

    [7] J Tani, H Kido. Geometrical and electronic structures of β-FeSi1.875X0.125(X = B, N, Al or P) [J]. Jpn J Appl Phys, 2002, 41(11A): 6426-6429.

    [8] Z J Pan, L T Zhang, J S Wu. First-principles study of electronic and geometrical structures of semiconducting β-FeSi2 with doping[J]. Mater Sci Eng B, 2006, 131(1-3): 121-126.

    [9] J Tani, H Kido. First principle calculation of the geometrical and electronic structure of impurity-doped β-FeSi2 semiconductors[J]. J Solid State Chem, 2002, 163(1): 248-252.

    [10] Yan Wanjun, Zhou Shiyun, Xie Quan, et al.. First principles study of electronic structure and optical properties for Co-doped β-FeSi2[J]. Acta Optica Sinica, 2011, 31(6): 0616003.

    [11] K Takakrabe, R Teranishi, J Oinuma, et al.. Electronic properties of β-FeSi2 under pressure[J]. J Phys: Condens Matter, 2002, 14(44): 11007-11010.

    [12] K Takakrabe, T Ikai, Y Mori, et al.. Structural study of FeSi2 under pressure[J]. J Appl Phys, 2004, 96(9): 4903-4908.

    [13] K Takakrabe, R Teranishi, J Oinuma, et al.. Optical properties of β-FeSi2 under pressure[J]. Phys Rev B, 2002, 65(16): 165215.

    [14] K. Takakrabe, R. Teranishi, J. Oinuma, et al.. Optical absorption spectra of β-FeSi2 under pressure[J]. Phys. Stat. Sol. (b), 2001, 223(1): 259-263.

    [15] Y Mori, T Ikai, R Teranishi, et al.. Electronic and structural study of β-FeSi2 under high pressure[J]. Phys Stat Sol (b), 2003, 235(2): 302-306.

    [16] J Tani, M Takahashi, H Kido. First-principles calculations of the structural and elastic properties of β-FeSi2 at high-pressure[J]. Intermetallics, 2010, 18(6): 1222-1227.

    [17] Q Chen, Q Xie, F J Zhao, et al.. First-principles calculations of electronic structure and optical properties of strained Mg2Si[J]. Chin Sci Bull, 2010, 55(21): 2236-2242.

    [18] S Y Zhou, Q Xie, W J Yan, et al.. First-principle study on the electronic structure of stressed CrSi2[J]. Sci China Ser G, 2009, 52(1): 76-81.

    [19] Li Chunxia, Dang Suihu, Zhang Keyan, et al.. Influence of pressure effect on CdS electronic structure and optical properties[J]. Acta Optica Sinica, 2011, 31(6): 0616004.

    [20] Chen Qian, Xie Quan, Yang Chuanghua, et al.. First-principles calculation of electronic structure and optical properties of Mg2Si with doping[J]. Acta Optica Sinica, 2009, 29(1): 229~235.

    [21] Yan Wanjun, Zhou Shiyun, Xie Quan, et al.. Effect of Al doping concentration effect on electronic and optical properties of CrSi2[J]. Acta Optica Sinica, 2012, 32(5): 0516003.

    [22] Zhang Fuchun, Zhang Zhiyong, Zhang Weihu, et al.. First-principles calculation of electronic structure and optical properties of AZO(ZnOAl)[J]. Acta Optica Sinica, 2009, 29(4): 1025-1031.

    [23] 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.

    [24] Li Chunxia, Dang Suihu, Han Peide. Vacancies effects on electronic structure and optical properties of CdS[J]. Acta Optica Sinica, 2010, 30(5): 1406-1412.

    [25] Cheng Zhengze, Xu Bin, Wu Siqing. Electronic structure and optical properties of NaPd3O4[J]. Chinese J Lasers, 2009, 36(8): 2126-2129.

    [26] Zhou Guanggang, Lu Guiwu, Yu Yinghui, et al.. Calculation for linear and nonlinear optical properties of LBO crystals[J]. Chinese J Lasers, 2010, 37(5): 1342-1346.

    [27] Cui Dongmeng, Jia Rui, Xie Quan, et al.. First principle calculation of the electronic structure and optical properties of Rh-doped Ru2Si3 semiconductors[J]. Chinese J Luminescence, 2012, 33(9): 960-965.

    [28] Cui Dongmeng, Jia Rui, Xie Quan, et al.. First principle calculation of stressed Ru2Si3[J]. Chinese J Luminescence, 2011, 32(9): 907-912.

    [29] Li Ping, Xin Chuanzhen, Xu Jianping, et al.. Calculation and experimental verification for Zn1-xCdxS ternary mixed crystals on electronic structures and optical oroperties[J]. Chinese J Luminescence, 2012, 33(7): 720-728.

    [30] Y Dusausoy, J Protas, R Wandji, et al.. Structure cristalline du disiliciure de fer, FeSi2[J]. Acta Crystallogr, Sect B: Struc Sci, 1971, 27(6): 1209-1218.

    [31] M D Segall, P J D Lindan, M Probert, et al.. First-principles simulation: ideas, illustrations and the CASTEP code[J]. J Phys: Condens Matter, 2002, 14(11): 2717-2744.

    [32] C G Broyden. The convergence of a class of double-rank minimization algorithms 2. The new algorithm[J]. IMA J Appl Math, 1970, 6(3): 222-231.

    [33] R Fletcher. A new approach to variable metric algorithms[J]. The Computer Journal, 1970, 13(3): 317-322.

    [34] D Goldfarb. A family of variable metric methods derived by variational means[J]. Math Comp, 1970, 24(109): 23-26.

    [35] D F Shannon. Conditioning of quasi-Newton methods for function minimization[J]. Math Comp, 1970, 24(111): 647-656.

    [36] J P Perdew, K Burkek, M Ernzerhof. Generalized gradient approximation made simple[J]. Phys Rev Lett, 1996, 77(18): 3865-3868.

    [37] D Vanderbilt. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism[J]. Phys Rev B, 1990, 41(11): 7892-7895.

    [38] H J Monkhorst, J D Pack. Special points for Brillouin-zone integrations[J]. Phys Rev B, 1976, 13(12): 5188-5192.

    [39] Yan Wanjun, Xie Quan, Zhang Jinmin, et al.. Interband optical transitions in semiconducting iron disilicide β-FeSi2[J]. Chinese J. Semiconductors, 2007, 28(9): 1381-1387.

    CLP Journals

    [1] Zhang Chunhong, Zhang Zhongzheng, Yan Wanjun, Zhou Shiyun, Gui Fang, Guo Benhua. Study on First Principle of Photoelectrical Properties of Ac Doped β-FeSi2[J]. Acta Optica Sinica, 2014, 34(11): 1116002

    [2] Zhang Chunhong, Zhang Zhongzheng, Deng Yongrong, Yan Wanjun, Zhou Shiyun, Gui Fang, Guo Benhua. First Principle Study on Electronic Structure and Optical Properties of β-FeSi2 with Doping Rare Earth (Y、Ce)[J]. Acta Optica Sinica, 2015, 35(1): 116001

    [3] Yin Chunhao, Xu Zhenkun, Wu Caiping, Zhang Lei, Jiao Yang, Liu Haishun, Li Fuqiang. Reserach on Fine Structure of Ground-State Energy Levels and the Jahn-Teller Effect of Fe2P2S6 Crystal[J]. Acta Optica Sinica, 2014, 34(5): 526002

    [4] Yan Wanjun, Zhang Zhongzheng, Guo Xioatian, Gui Fang, Xie Quan, Zhou Shiyun, Yang Jiao. First Principles Calculation on the Photoelectric Properties of V-Al co-Doped CrSi2[J]. Acta Optica Sinica, 2014, 34(4): 416002

    [5] Cen Weifu, Yang Yinye, Fan Menghui, Yao Juan, Yang Wenbang, Huang Jinbao. Effect of Strain on (111) Surface on Energy Band Structure and Optical properties of Cubic Ca2P0.25Si0.750.75[J]. Laser & Optoelectronics Progress, 2014, 51(9): 91603

    [6] He Jiuyang, Ma Yuanyuan, Wan Ying, Aziguli·Reheman, Aierken·Sidike. 1540 nm Photoluminescence Enhancement in Er Doped β-FeSi2/Si[J]. Laser & Optoelectronics Progress, 2015, 52(8): 83101

    [7] Zhang Shuai, Liu Xuyan, Wang Zhuo, Li Genquan, Lu Cheng. Density-Functional Theory Study of the Structural, Stability and Spectrum Properties for Mg2Sin (n=1~9) Clusters[J]. Acta Optica Sinica, 2014, 34(3): 316002

    Yan Wanjun, Zhang Chunhong, Gui Fang, Zhang Zhongzheng, Xie Quan, Guo Benhua, Zhou Shiyun. Electronic Structure and Optical Properties of Stressed β-FeSi2[J]. Acta Optica Sinica, 2013, 33(7): 716001
    Download Citation