Large band-gap bowing in Cu1-xAgxGaS2 chalcopyrite semiconductors and its effect on optical parameters

被引：4
|
作者：
Mitra, Chandrima [1 ]
Lambrecht, Walter R. L. [1 ]
机构：
[1] Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA
来源：
PHYSICAL REVIEW B | 2007年 / 76卷 / 03期
关键词：
D O I：
10.1103/PhysRevB.76.035207
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The band-gap bowing in the Cu1-xAgxGaS2 chalcopyrite alloy is studied using the full-potential linearized muffin-tin orbital method combined with various structural models, including so-called special quasirandom structures. The calculations confirm a large band-gap bowing (similar to 0.7 eV) in agreement with recent experimental results. It is found that the large bowing in part arises from a nonlinear behavior of the c/a ratio with concentration. Layered structures are found to have similar bowing to special quasirandom structures. The nonlinear band-gap behavior also leads to a nonlinear behavior of the index of refraction and the second-order nonlinear optical susceptibility with concentration. The maximum chi((2)) is found for a 50% alloy and is calculated to be about 27 pm/V.
引用
收藏
页数：7
相关论文
共 50 条
  • [41] Large area ZnO films optimized for graded band-gap Cu(InGa)Se2-based thin-film mini-modules
    New Energy and Industrial Technology, Development Organization , Tokyo, Japan
    Sol Energ Mater Sol Cells, 1-4 (291-297):
  • [42] Formation of self-assembled spherical-flower like nanostructures of cobalt doped anatase TiO2 and its optical band-gap
    Alamgir
    Khan, Wasi
    Ahmad, Shabbir
    Naqvi, A. H.
    MATERIALS LETTERS, 2014, 133 : 28 - 31
  • [43] PHOTO-LUMINESCENT METHODS FOR DETERMINATION OF GRADED BAND-GAP SEMICONDUCTOR PARAMETERS .2. EXPERIMENTAL INVESTIGATION OF AL-CHIGA1-CHI-AS2
    KOVALENKO, VF
    PEKA, GP
    SHEPEL, LG
    PHYSICA STATUS SOLIDI A-APPLIED RESEARCH, 1981, 66 (01): : 407 - 414
  • [44] Effect of Band Gap Reduction on the Thermoelectric Properties of In2Se3 Based Semiconductors after Co-Doping of Cu and Te
    Cui Jiaolin
    Zhang Xiaojun
    Li Yiyun
    Gao Yulan
    RARE METAL MATERIALS AND ENGINEERING, 2012, 41 (12) : 2118 - 2122
  • [45] Alloyed transition-metal dichalcogenides (Mo1-xWxSe2) through a hydrothermal synthesis route: Probing layer-number-dependent band energies and band-gap bowing via scanning tunneling spectroscopy
    Bera, Arpan
    Kundu, Biswajit
    Ghorai, Uttam Kumar
    Pal, Amlan J.
    PHYSICAL REVIEW MATERIALS, 2023, 7 (01)
  • [46] Investigating the influence of transition metal oxides on temperature dependent optical properties of PbCl2-TeO2 glasses for their evaluation as transparent large band gap semiconductors
    Gedikoglu, N.
    Ersundu, M. Celikbilek
    Kostka, P.
    Basinova, N.
    Ersundu, A. E.
    JOURNAL OF ALLOYS AND COMPOUNDS, 2018, 748 : 687 - 693
  • [47] Influence of Al content on the optical band-gap enhancement and lattice structure of (Ga1-xAlx)2O3 single crystal
    Bhaumik, Indranil
    Soharab, M.
    Bhatt, R.
    Saxena, A.
    Sah, S.
    Karnal, A. K.
    OPTICAL MATERIALS, 2020, 109
  • [48] Band-gap control optical Kerr effect and light self-focusing of semiconducting materials CdxHg1-xGa2S4 -: art. no. 141905
    Cheng, WD
    Huang, SP
    Wu, DS
    Li, XD
    Lan, YZ
    Li, FF
    Shen, J
    Zhang, H
    Gong, YJ
    APPLIED PHYSICS LETTERS, 2005, 87 (14) : 1 - 3
  • [49] SYNTHESIS AND OPTICAL PROPERTIES OF Cu2(Co1-xMnx)SnS4 NANOCRYSTALS WITH TUNABLE BAND GAP
    Guan, H.
    Fang, Y.
    Ma, X.
    CHALCOGENIDE LETTERS, 2019, 16 (09): : 443 - 448
  • [50] Studies of prereactions during MOVPE growth of wide band-gap II/VI semiconductors: The effect of pyridine upon the gas-phase reactions between H2S and Me(2)Zn
    Pickett, NL
    Foster, DF
    ColeHamilton, DJ
    JOURNAL OF CRYSTAL GROWTH, 1997, 170 (1-4) : 476 - 479
12345