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
  • [21] Structural, Optical and Electrical Conductivity Properties of Stannite Cu2ZnSnS4
    Zakhvalinskii, V. S.
    Thi Tham Hong Nguyen
    Thi Thao Pham
    Ngoc Toan Dang
    Piliuk, E. A.
    Taran, S. V.
    JOURNAL OF ELECTRONIC MATERIALS, 2017, 46 (06) : 3523 - 3530
  • [22] Physical and optical properties of sprayed Cu2ZnSnS4 (CZTS) thin film: effect of Cu concentration
    Deokate, R. J.
    Kate, R. S.
    Bulakhe, S. C.
    JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS, 2019, 30 (04) : 3530 - 3538
  • [23] Electronic and optical properties of kesterite Cu2ZnSnS4 under in-plane biaxial strains: First-principles calculations
    Li, Chun-Ran
    Li, Yong-Feng
    Yao, Bin
    Yang, Gang
    Ding, Zhan-Hui
    Deng, Rui
    Liu, Lei
    PHYSICS LETTERS A, 2013, 377 (37) : 2398 - 2402
  • [24] Pressure effects on vibrational properties and structure of nanocrystalline Cu2ZnSnS4
    Kandare, S. P.
    Joseph, B.
    Rao, Mala N.
    Dahiwale, S. S.
    Dhole, S. D.
    Rao, Rekha
    JOURNAL OF ALLOYS AND COMPOUNDS, 2021, 867
  • [25] Pressure effects on vibrational properties and structure of nanocrystalline Cu2ZnSnS4
    Rao, Rekha (rekhar@barc.gov.in), 1600, Elsevier Ltd (867):
  • [26] Electronic and Photon Absorber Properties of Cr-Doped Cu2ZnSnS4
    Tablero, C.
    JOURNAL OF PHYSICAL CHEMISTRY C, 2012, 116 (44): : 23224 - 23230
  • [27] Effect of silicon doping on electrical and optical properties of stoichiometric Cu2ZnSnS4 solar cells
    Guo, Huafei
    Li, Yan
    Guo, Xiaohai
    Yuan, Ningyi
    Ding, Jianning
    PHYSICA B-CONDENSED MATTER, 2018, 531 : 9 - 15
  • [28] Effect of annealing process on the properties of Cu2ZnSnS4 thin films
    Seboui, Zeineb
    Gassoumi, Abdelaziz
    Cuminal, Yvan
    Kamoun-Turki, Najoua
    SUPERLATTICES AND MICROSTRUCTURES, 2014, 75 : 586 - 592
  • [29] Optical and Electrical Properties of Cu2ZnSnS4 Film Prepared by Sulfurization Method
    Jiang, Feng
    Shen, Honglie
    Wang, Wei
    JOURNAL OF ELECTRONIC MATERIALS, 2012, 41 (08) : 2204 - 2209
  • [30] Electrical and Optical Properties of Cu2ZnSnS4 Films with Different Chemical Composition
    Jheng, Bao-Tang
    Chen, I-Ping
    Wu, Meng-Chyi
    SCIENCE OF ADVANCED MATERIALS, 2015, 7 (02) : 233 - 238