P掺杂正交相Ca2Si电子结构及光学性质的第一性原理计算
岑伟富, 杨吟野, 范梦慧, 邵树琴. P掺杂正交相Ca2Si电子结构及光学性质的第一性原理计算[J]. 光子学报, 2014, 43(8): 0816003.
CEN Wei-fu, YANG Yin-ye, FAN Meng-hui, SHAO Shu-qin. Electronic Structure and Optical Properties of Orthorhombic P-doped Ca2Si Calculated by the First-principles[J]. ACTA PHOTONICA SINICA, 2014, 43(8): 0816003.
[1] MANFRINETTI P, FORNASINI ML, PALENZOA A. The phase diagram of the Ca-Si system［J］. Intermetallics, 2000, 8(3): 223-238.
[2] LEBGUE S, ARNAUD B, ALOUANI M. Calculated quasiparticle and optical properties of orthorhombic and Ca2Si［J］. Physical Review B, 2005, 72(8): 1-8.
[3] 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.
[4] MATSUI H, KURAMOTO M, ONO T, et al. Growth of Ca2Si layers on Mg2Si/Si(111) substrates［J］ . Crystal Growth, 2002, 237-239: 2121-2124.
[5] CHEMELLI C, SANCROTTI M, BRAICOVICH L, et al. Empty electronic states of calcium silicides: An inverse-photoemission investigation in the ultraviolet photo range［J］. Physical Review B, 1989, 40(15): 10210-10217.
[6] IMAI Y, WATANABE A, MUKAIDA M et al. Electronic structures of semiconducting alkaline-earth metal silicides［J］. Journal of Alloys and Compounds, 2003, 358(1-2): 257-263.
[7] 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］. Physical Review B, 2003, 67(20): 205203.
[8] TATSUOKA H, TAKAGI N, OKAYA S, et al. Microstructures of semiconducting silicide layers grown by, novel growth techniques［J］. Thin Solid Films, 2004, 461: 57-62.
[9] TAKAGI N, SATO Y, MATSUYAMA T, et al. Growth and structural properties of Mg2Si and Ca2Si bulk crystals［J］. Applied Surface Science, 2005, 244(1-4): 330-333.
[10] BUSCH C, JUNOD P, KATZ U, et al. Electrical conductivity of the Intermetallic compounds Ca2Si, Ca2Sn, Ca2Pb, ZnSb［J］. Helvetica Physical Acta, 1954, 27: 193.
[11] YANG Y Y, XIE Q. A single phase semiconducting Ca-silicide film growth by sputtering conditions, annealing temperature and annealing time［J］. Journal of Materials Science, 2009, 44(14): 3877-3882.
[12] PALENZONA A, MANFRINETTI P, FORNASINI M L. Phase diagram of the Ca-Sn system［J］. Journal of Alloys and Compounds, 2000, 312(1-2): 165-171.
[13] 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.
[14] 丰云, 谢泉, 高冉,等.K掺杂正交相Ca2Si电子结构和光学性质的第一性原理计算［J］. 材料热处理学报. 2012, 33(9): 155-160.
FENG Yun, XIE Quan, GAO Ran, et al. First-principles calculation of electronic structure and optical properties of K-doped orthorhombic Ca2Si［J］. Transactions of Materials and Heat Treatment, 2012, 33(9): 155-160.
岑伟富, 杨吟野, 范梦慧, 邵树琴. P掺杂正交相Ca2Si电子结构及光学性质的第一性原理计算[J]. 光子学报, 2014, 43(8): 0816003. CEN Wei-fu, YANG Yin-ye, FAN Meng-hui, SHAO Shu-qin. Electronic Structure and Optical Properties of Orthorhombic P-doped Ca2Si Calculated by the First-principles[J]. ACTA PHOTONICA SINICA, 2014, 43(8): 0816003.
PDF全文
