Effect of Strain on (111) Surface on Energy Band Structure and Optical properties of Cubic Ca2P0.25Si0.750.75

Cen Weifu; Yang Yinye; Fan Menghui; Yao Juan; Yang Wenbang; Huang Jinbao

doi:10.3788/lop51.091603

[1] Lebègue S, Arnaud B, Alouani M. Calculated quasiparticle and optical properties of orthorhombic and Ca2Si[J]. Phys Rev B, 2005, 72(8): 1-8.

[2] Imai Y, Watanabe A. Energetics of alkaline- earth metal silicides calculated using a first- principle pseudo potential method[J]. Intermetallics, 2002, 10(4): 333-341.

[3] Matsui H, Kuramoto M, Ono T, et al.. Growth of Ca2Si layers on Mg2Si/Si(111) substrates[J]. Cryst Growth, 2002, 237-239: 2121-2124.

[4] Cheng J, Yang Y Y, Liang Y. Selective growth of Ca2Si film or Ca5Si3 film in Ca-Si system by R.F. MS by Annealing[C].2012 International Conference on Manipulation, Manufacturing and Measurement on the Nanoscale, 2012. 75-79.

[5] Imai Y, Watanabe A,Mukaida M. Electronic structures of semiconducting alkaline- earth metal silicides[J]. Journal of Alloys and Compounds, 2003, 358(1-2): 257-263.

[6] Migas D B, Miglio L, Shaposhnikov V L, et al.. Comparative study of structural, electronic and optical properties of Ca2Si, Ca2Ge, Ca2Sn and Ca2Pb[J]. Phys Rev B, 2003, 67(20): 205203.

[7] Takagi N, Sato Y, Matsuyama T, et al.. Growth and structural properties of Mg2Si and Ca2Si bulk cystals[J]. Appl Surf Sci, 2005, 244(1-4): 330-333.

[8] Busch C, Junod P, Katz U, et al.. Electrical conductivity of the intermetallic compounds Ca2Si, Ca2Sn, Ca2Pb, ZnSb[J].Helv Phys Acta, 1954, 27(33): 193-197.

[9] Yang Y Y, Xie Q. The selective growth of a single phase calcium silicide film in the Ca- Si system by R.F. magnetron sputtering[C]. 2nd International Conference on Anti-Counterfeiting, Security and Identification, 2008. 360-363.

[10] Yang Y Y, Xie Q. Growth characteristics of calcium silicides film from the deposited Ca films at the different sputtering Ar pressure[J]. ISCSCT, 2008. 484-487.

[11] Yang Y Y, Xie Q. A single phase semiconducting Ca- silicide film growth by sputtering conditions, annealing temperature and annealing tim[J]. J Materials Science, 2009, 44(14): 3877-3882.

[12] Yang Y Y, Xie Q. Selective growth of Ca2Si film by annealing from the different thickness of Ca films by sputtering[J]. J Materials Science and Engineering, 2009, 27(5): 675-678.

[13] Yang Y Y, Xie Q. The selective growth of a single phase Ca- silicide film from Ca- Si system by R.F. magnetron sputtering and by annealing[J]. International Journal of Information and Electronics, 2008, 2(4): 6-9.

[14] Ma Jianli, Zhang Heming, Song Jianjun, et al.. Energy band structure of uniaxial-strained silicon material on the (001)surface arbitrary orientation[J]. Acta Physica Sinica, 2011, 60(2): 027101.

[15] Wang Guanyu, Ma Jianli, Zhang Heming, et al.. Model of intrinsic carrier concentration of [110]/(001)-uniaxial strained Si[J]. Acta Physica Sinica, 2011, 60(7): 077105.

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

[17] Niu Yufeng, Zhuang Yiqi, Hu Huiyong, et al.. Band structure of strained Si/(001) Si1- xGex by the first principles investigation[J]. Research & Progress of SSE, 2009, 29(3): 315-320.

[18] Hu Zixiang, Wu Yuxi, Gu Shulin, et al.. Varying characteristics of crystal structures and optical properties of ZnO under pressure[J]. Chinese Journal of Quantum Electronics, 2010, 27(5): 613-619.

[19] Yan Wanjun, Zhang Chunhong, Gui Fang, et al.. Electronic structure and optical properties of stressed β-FeSi2[J].Acta Optica Sinca, 2013, 33(7):0716001.

[20] Segall M D, Lindan P J D, Probert M J, et al.. First-principles simulation: Ideas, illustrations and the CASTEP code[J].Journal of Physics, 2002, 14(11): 2717-2744.