| Citation: | LI Sheng-Zhi, LIU Jin-Chao, YANG Xiang-Dong, GUO Yan-Feng, XU Hai-Quan. First-Principles Calculation of ZnS Doped with Mn or Fe[J]. Chinese Journal of High Pressure Physics, 2010, 24(6): 449-454 . doi: 10.11858/gywlxb.2010.06.008
|
|
Li L J, Zhao M W, Zhang X J, et al. Theoretical Insight into Faceted ZnS Nanowires and Nanotubes from Interatomic Potential and First-Principles Calculations [J]. J Phys Chem C, 2008, 112: 3509-3514.
|
|
Xu H, Li Y, Rosa A L, et al. First-Principles Study of the Structural Stability and Electronic Properties of ZnS Nanowries [J]. J Phys Chem C, 2008, 112: 20291-20294.
|
|
Jiang Y, Meng X M, Liu J, et al. Hydrogen-Assisted Thermal Evaporation Synthesis of ZnS Nanoribbons on a Large Scale [J]. Adv Mater, 2003, 15: 323-327.
|
|
Banerjee I A, Yu L, Matsui H. Room-Temperature Wurtzite ZnS Nanocrystal Growth on Zn Finger-Like Peptide Nanotubes by Controlling Their Unfolding Peptide Structures [J]. J Am Chem Soc, 2005, 127(46): 16002-16003.
|
|
Hiroko K, Takato N, Yoiehiro N, et al. Improvement of Low Voltage Cathodoluminescent Properties of Zinc Sulfide Phosphors by Sol-Gel Method [J]. Jap J Appl Phys, 1996, 35: 1600-1602.
|
|
Kang T, Sung J, Shim W, et al. Synthesis and Magnetic Properties of Single-Crystalline Mn/Fe-Doped and Co-Doped ZnS Nanowires and Nanobelts [J]. J Phys Chem C, 2009, 113: 5352-5357.
|
|
Sambasivam S, Reddy B K, Divya A, et al. Optical and ESR Studies on Fe Doped ZnS Nanocrystals [J]. Phys Lett A, 2009, 373: 1465-1468.
|
|
Behboudnia M, Sen P. Systematics in the Nanoparticle Band Gap of ZnS and Zn1-xMxS(M=Mn, Fe, Ni) for Various Dopant Concentrations [J]. Phys Rev B, 2001, 63: 0353161-05353165
|
|
Vanderbilt D. Soft Self-Consistent Pseudopotentials in a Generalized Eigenvalue Formalism [J]. Phys Rev B, 1990, 41: 7892-7895.
|
|
Lee S G, Chang K J. First-Principles Study of the Structural Properties of MgS-, MgSe-, ZnS-, and ZnSe- Based Superlattices [J]. Phys Rev B, 1995, 52: 1918-1925.
|
|
Ves S, Schwarz U, Christensen N E, et al. Cubic ZnS Under Pressure: Optical-Absorption Edge, Phase Transition, and Calculated Equation of State [J]. Phys Rev B, 1990, 42: 9113-9118.
|
|
Rabah M, Abbar B, Al-Douri Y, et al. Calculation of Structural, Optical and Electronic Properties of ZnS, ZnSe, MgS, MgSe and Their Quaternary Alloy Mg1-xZnxSySe1-y [J]. Mater Sci Eng B, 2003, 100(2): 163-171.
|
|
Khenata R, Bouhemadou A, Sahnoun M, et al. Elastic, Electronic and Optical Properties of ZnS, ZnSe and ZnTe Under Pressure [J]. Comput Mater Sci, 2006, 38(1): 29-38.
|
|
Geng B Y, Liu X W, Du Q B, et al. Structure and Optical Properties of Periodically Twinned ZnS Nanowires [J]. Appl Phys Lett, 2006, 88: 1631041-1631043.
|
|
Stampfl C. Density-Functional Calculations for Ⅲ-Ⅴ Nitrides Using the Local-Density Approximation and the Generalized Gradient Approximation [J]. Phys Rev B, 1999, 59: 5521-5535.
|
|
Katayama-Yoshida H, Sato K. Materials Design for Semiconductor Spintronics by ab Initio Electronic- Structure Calculation [J]. Physica B, 2003, 327: 337-343.
|
|
Shen H X, Shen Y W. Study On Electronic Structure of ZnS: Mn2+ [J]. Chinese Journal of High Pressure Physics, 2003, 17(1): 65-68. (in Chinese)
|
|
沈汉鑫, 沈耀文. ZnS掺Mn的电子结构研究 [J]. 高压物理学报, 2003, 17(1): 65-68.
|
|
Liu E K. Semiconductor Physics [M]. Beijing: Electron Industry Press, 2003: 327. (in Chinese)
|
|
刘恩科. 半导体物理学 [M]. 北京: 电子工业出版社, 2003: 327.
|
|
Bhargava R N, Gallagher D, Hong X, et al. Optical Properties of Manganese-Doped Nanocrystals of ZnS [J]. Phys Rev Lett, 1994, 72: 416-419.
|
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