Electronic Structure and Optical Properties of Cu2ZnSnS4 under Stress Effect

被引:0
|
作者
Yang, Xiufan [1 ]
Qin, Xinmao [1 ]
Yan, Wanjun [1 ]
Zhang, Chunhong [1 ]
Zhang, Dianxi [1 ]
Guo, Benhua [1 ]
机构
[1] Anshun Univ, Coll Phys & Elect Sci, Anshun 561000, Peoples R China
关键词
Cu2ZnSnS4; stress; electronic structure; optical properties; first principles; SOLAR-CELL;
D O I
10.3390/cryst12101454
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
By using the pseudopotential plane-wave method of first principles based on density functional theory, the band structure, density of states and optical properties of Cu2ZnSnS4 under isotropic stress are calculated and analyzed. The results show that Cu2ZnSnS4 is a direct band gap semiconductor under isotropic stress, the lattice is tetragonal, and the band gap of Cu2ZnSnS4 is 0.16 eV at 0 GPa. Stretching the lattice causes the bottom of the conduction band of Cu2ZnSnS4 to move toward lower energies, while the top of the valence band remains unchanged and the band gap gradually narrows. Squeezing the lattice causes the bottom of the conduction band to move toward the high-energy direction, while the top of the valence band moves downward toward the low-energy direction, and the Cu2ZnSnS4 band gap becomes larger. The static permittivity, absorption coefficient, reflectivity, refractive index, electrical conductivity, and energy loss function all decrease when the lattice is stretched, and the above optical parameters increase when the lattice is compressed. When the lattice is stretched, the optical characteristic peaks such as the dielectric function shift to the lower-energy direction, while the optical characteristic peak position shifts to the higher-energy direction when the lattice is compressed.
引用
收藏
页数:13
相关论文
共 50 条
  • [41] Preparation and Optoelectronic Properties of Cu2ZnSnS4 Film
    Jiang, Feng
    Shen, Honglie
    Jin, Jiale
    Wang, Wei
    JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 2012, 159 (06) : H565 - H569
  • [42] Structural and electronic properties of low-index stoichiometric Cu2ZnSnS4 surfaces
    Jia, Zhan-Ju
    Wang, Yu-An
    Zhao, Zong-Yan
    Liu, Qing-Ju
    MATERIALS RESEARCH EXPRESS, 2018, 5 (05):
  • [43] Preparation and Properties of Cu2ZnSnS4 Absorber and Cu2ZnSnS4/Amorphous Silicon Thin-Film Solar Cell
    Jiang, Feng
    Shen, Honglie
    Wang, Wei
    Zhang, Lei
    APPLIED PHYSICS EXPRESS, 2011, 4 (07)
  • [44] Raman scattering and disorder effect in Cu2ZnSnS4
    Valakh, M. Y.
    Kolomys, O. F.
    Ponomaryov, S. S.
    Yukhymchuk, V. O.
    Babichuk, I. S.
    Izquierdo-Roca, V.
    Saucedo, E.
    Perez-Rodriguez, A.
    Morante, J. R.
    Schorr, S.
    Bodnar, I. V.
    PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, 2013, 7 (04): : 258 - 261
  • [45] The post-growth effect on the properties of Cu2ZnSnS4 thin films
    Seboui, Zeineb
    Gassoumi, Abdelaziz
    Cuminal, Yvan
    Turki, Najoua Kamoun
    JOURNAL OF RENEWABLE AND SUSTAINABLE ENERGY, 2015, 7 (01)
  • [46] Precursors' order effect on the properties of sulfurized Cu2ZnSnS4 thin films
    Fernandes, P. A.
    Salome, P. M. P.
    da Cunha, A. F.
    SEMICONDUCTOR SCIENCE AND TECHNOLOGY, 2009, 24 (10)
  • [47] Optical characterization of Cu2ZnSnS4 nanocrystals thin film
    Z. Kişnişci
    F. Özel
    Ö. F. Yüksel
    N. Tuğluoğlu
    Journal of Materials Science: Materials in Electronics, 2016, 27 : 10128 - 10135
  • [48] Effect of thermal pretreatment of metal precursor on the properties of Cu2ZnSnS4 films
    王威
    沈鸿烈
    金佳乐
    李金泽
    马跃
    Chinese Physics B, 2015, 24 (05) : 483 - 487
  • [49] Effect of deposition temperature on the properties of Cu2ZnSnS4 (CZTS) thin films
    Khalate, S. A.
    Kate, R. S.
    Kim, J. H.
    Pawar, S. M.
    Deokate, R. J.
    SUPERLATTICES AND MICROSTRUCTURES, 2017, 103 : 335 - 342
  • [50] Residual Stress Analysis of a Cu2ZnSnS4 Thin Film
    Hong, Sungwook
    Kim, Chan
    2018 IEEE 7TH WORLD CONFERENCE ON PHOTOVOLTAIC ENERGY CONVERSION (WCPEC) (A JOINT CONFERENCE OF 45TH IEEE PVSC, 28TH PVSEC & 34TH EU PVSEC), 2018, : 0823 - 0826