HSE方法研究Cd1-xZnxTe合金的性质
[1] BUTLER J F, DOTY F P, APOTOVSKY B. Gamma and x high-pressure Bridgman method[J].Materials Science and Engineering B, 1993,16(3):291295.
[2] CHANDRA D, SHIH H D, AQARUDEN F. Formation and control of defects during molecular beam epitaxial growth of HgCdTe [J].Journal of Electronic Materials, 1998,27(6):640647.
[3] FRANC J, MORAVEC P, BELAS E, et al. Determination of energy gap in Cd1-xZnxTe (x=0-0.06)[J]. Semiconductor Science and Technology, 2000,15(6): 561564.
[4] DUAN He. Study of the first-principle of Cd1-xZnxTe alloys[J]. J. Infrared. Millim. Waves(段鹤.碲锌镉(Cd1-xZnxTe)材料的第一性原理研究.红外与毫米波学报), 2006,27(12): 1519.
[5] HEYD J, SCUSERIA G E, ERNZERHOF M. Hybrid functionals based on a screened Coulomb potential[J]. Journal of Chemical Physics, 2003,118(18):82078216.
[6] HEYD J, KRUKAU A V, SCUSERIA G E. Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals [J]. Journal of Chemical Physics, 2006,125(7):41064115.
[7] ERNZERHOF M, SCUSERIA G E. Assessment of the Perdew-Burke-Ernzerhof exchange-correlation functional [J]. Journal of Chemical Physics, 1999,110(11):52095217.
[8] HENDERSON T M, PAIER J, SCUSERIA G E. Accurate treatment of solids with the HSE screened hybrid[J]. Physica Satus Solidi B, 2011,248(4):767774.
[9] ZUNGER A, WEI S H, FERREIRA L G, et al.Electronic properties of random alloys: Special quasirandom structures[J]. Physical Review B, 1990,42(15):96229649.
[10] HUBBARD H J, SCHLOM D G. Thermodynamic stability of binary oxides in contact with silicon[J]. Journal of Materials Research, 1996,11(11):27572776.
[11] DUAN He, CHEN Xiao-Shuang, HUANG Yan, et al. Composition-dependent electronic properties, optical transitions, and anionic relaxations of Cd1-xZnxTe alloys from first principles[J]. Physical Review B, 2007,76(3): 52095221.
[12] SIVARAMAN G. Characterization of Cadmium Zinc Telluride solar cells[D]. Tampa:University of South Florida, 2003.
徐海涛, 徐闰, 王林军, 朱燕艳. HSE方法研究Cd1-xZnxTe合金的性质[J]. 红外与毫米波学报, 2012, 31(5): 411. XU Hai-Tao, XU Run, WANG Lin-Jun, ZHU Yan-Yan. Cd1-xZnxTe alloys properties studied with the Heyd-Scuseria-Ernzerhof screened hybrid density functional[J]. Journal of Infrared and Millimeter Waves, 2012, 31(5): 411.