Zn1-xCdxS三元混晶的电子结构及光学性质计算与实验验证
李萍, 辛传祯, 徐建萍, 张晓松, 李德军, 李岚. Zn1-xCdxS三元混晶的电子结构及光学性质计算与实验验证[J]. 发光学报, 2012, 33(7): 720.
LI Ping, XIN Chuan-zhen, XU Jian-ping, ZHANG Xiao-song, LI De-jun, LI Lan. Calculation and Experimental Verification for Zn1-xCdxS Ternary Mixed Crystals on Electronic Structures and Optical Properties[J]. Chinese Journal of Luminescence, 2012, 33(7): 720.
[1] Kulkarni S K, Winkler U, Deshmukh N, et al. Investigations on chemically capped CdS, ZnS and ZnCdS nanoparticles [J]. Appl. Surf. Sci., 2001, 169-170(1-2):438-446.
[2] Hasse M A, Qiu J, de Puydt J M, et al. Blue-green laser diodes [J]. Appl. Phys. Lett., 1991, 59(11):1272-1274.
[3] Jeon H, Ding J, Patterson W, et al. Blue-green injection laser diodes in (Zn, Cd)Se/ZnSe quantum wells [J]. Appl. Phys. Lett., 1991, 59(27):3619-3621.
[4] Melnikov A. CdZnTe radiation detectors [J]. J. Cryst. Growth, 1999, 197(3):663-665.
[5] Hannachi L, Bouarissa N. Electronic structure and optical properties of CdSexTe1-x mixed crystals [J]. Superlattices Microstruct., 2008, 44(6):794-801.
[6] Amir F Z, Clark K, Maldonado E, et al. Epitaxial growth of CdSexTe1-x thin films on Si (100) by molecular beam epitaxy using lattice mismatch graded structures [J]. J. Cryst. Growth, 2008, 310(6):1081-1087.
[7] Zu S, Wang Z, Liu B, et al. Synthesis of nano-CdxZn1-xS by precipitate-hydrothermal method and its photocatalytic activities [J]. J. Alloys Compd., 2009, 476(1-2):689-692.
[8] Kumar P, Misra A, Kumar D, et al. Structural and optical properties of vacuum evaporated CdxZn1-xS thin films [J]. Opt. Mater., 2004, 27(2):261-264.
[9] Sharkey J, Amalorpavam J, Lee C. Interband absorption coefficients of the electronic states calculated for CdZnS nanocrystals grown by sol-gel method [J]. IEEE J. Quantum Electronics, 2011, (99):1-1.
[10] Ichimura M, Furukawa T, Shirai K, et al. Raman and photoluminescence characterizations of electrochemically deposited ZnxCd1-xS layers [J]. Mater. Lett., 1997, 33(1-2):51-55.
[11] Korozlu N, Colakoglu K, Deligoz E. The effects of concentration on the electronic and optical properties in CdxZn1-xS ternary alloys [J]. J. Phys. Status Solidi B, 2010, 247(5):1214-1219.
[12] Segall M D, Lindan P, Probert M, et al. First-principles simulation: ideas, illustrations and the CASTEP code [J]. J. Phys.: Condens. Matter, 2002, 14(11):2717-2722.
[13] Vanderbilt D. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism [J]. Phys. Rev. B, 1990, 41(11):7892-7897.
[14] Perdew J P, Burke K, Ernzerhof M. Generalized gradient approximation made simple [J]. Phys. Rev. Lett., 1996, 77(18):3865-3868.
[15] Monkhorst H J, Pack J D. Special points for Brillouin-zone integrations [J]. Phys. Rev. B, 1976, 13(12):5188-5192.
[16] Poormohammadi-Ahandani Z, Habibi-Yangjeh A. Fast, green and template-free method for preparation of Zn1-xCdxS nanoparticles using microwave irradiation and their photocatalytic activities [J]. Physica E, 2010, 43(1):216-223.
[17] Singhal S, Chawla A K, Nagar S, et al. Photoluminescence measurements in the phase transition region of Zn1-xCdxS films [J]. J. Nanopart. Res., 2010, 12(4):1415-1421.
[18] Cullity B D, Elements of X-ray Diffraction [M]. 2nd ed. London: Addision Wesley, 1978.
[19] Zakharov O, Rubio A, Blase X, et al. Quasiparticle band structures of six Ⅱ-Ⅵ compounds: ZnS, ZnSe, ZnTe, CdS, CdSe, and CdTe [J]. Phys. Rev. B, 1994, 50(15):10780-10787.
[20] Douglas M, Kroll N. Quantum electrodynamical corrections to the fine structure of helium [J]. Ann. Phys., 1974, 82 (1):89-155.
[21] Hedin L, Lundqvist B I. Explicit local exchange-correlation potentials [J]. J. Phys. C: Solid State Phys., 1971, 4(14):2064-2082.
[22] Jaffe J E, Snyder J A, Lin Z, et al. LDA and GGA calculations for high-pressure phase transitions in ZnO and MgO [J]. Phys. Rev. B, 2000, 62(3):1660-1665.
[23] Cao L, Miao Y, Zhang Z, et al. Exciton interactions in CdS nanocrystal aggregates in reverse micelle [J]. J. Chem. Phys., 2005, 123(2):024702-1-6.
[24] Pokutnii S. Exciton binding energy in semiconductor quantum dots [J]. Semiconductors, 2010, 44(4):488-493.
[25] Shen X C. The Spectrum and Optical Property of Semiconductor [M]. Second Edition, Beijing: Science Press, 2003, 76 (in Chinese).
[27] Saha S, Sinha T P, Mookerjee A. Electronic structure, chemical bonding, and optical properties of paraelectric BaTiO3 [J]. Phys. Rev. B, 2000, 62(13):8828-8834.
[28] Prabahar S, Dhanam M. CdS thin films from two different chemical baths--structural and optical analysis [J]. J. Cryst. Growth, 2005, 285(1-2):41-48.
[29] Li L Y, Wang W H, Liu H, et al. First principles calculations of electronic band structure and optical properties of Cr-doped ZnO [J]. J. Phys. Chem. C, 2009, 113:8460-8464.
[30] Sarkar R, Tiwary C S, Kumbhakar P, et al. Low-dimensional systems and nanostructures [J]. Physica E, 2008, 40 (10):3115-3119.
[31] Robel I, Bunker B, Kamat P. Single-walled carbon nanotube-CdS nanocomposites as light-harvesting assemblies: photoinduced charge-transfer interactions [J]. Advanced Materials, 2005, 17(20):2458-2463.
李萍, 辛传祯, 徐建萍, 张晓松, 李德军, 李岚. Zn1-xCdxS三元混晶的电子结构及光学性质计算与实验验证[J]. 发光学报, 2012, 33(7): 720. LI Ping, XIN Chuan-zhen, XU Jian-ping, ZHANG Xiao-song, LI De-jun, LI Lan. Calculation and Experimental Verification for Zn1-xCdxS Ternary Mixed Crystals on Electronic Structures and Optical Properties[J]. Chinese Journal of Luminescence, 2012, 33(7): 720.