Band gap and Debye temperature of the alloys of SbTeSe: An ab-initio study

被引:0
|
作者
Mahalakshmi, K. [1 ]
Sankar, S. [1 ]
Sathyakumari, V. S. [1 ]
Subhashree, G. [1 ]
Krithiga, R. [1 ]
机构
[1] Anna Univ, Div Appl Sci & Humanities, Condensed Matter Lab, Dept Phys, Madras Inst Technol Campus, Madras 600044, Tamil Nadu, India
关键词
Fermi energy; density of states; bulk modulus; Debye temperature; THIN-FILMS; PHYSICAL-PROPERTIES; ANTIMONY SELENIDE; SB2SE3; SB2TE3-XSEX; CRYSTALLINE; 1ST-PRINCIPLES; REFINEMENT; TRANSITION; TRANSPORT;
D O I
暂无
中图分类号
TM [电工技术]; TN [电子技术、通信技术];
学科分类号
0808 ; 0809 ;
摘要
The band gap and Debye temperature of the antimony alloys of the form Sb2TexSe3-x (x = 3, 2, 1, 0), have been computed and the results are corroborated well with the earlier experimental reports. The required input data such as Fermi energy, density of states, etc., have been obtained by using the well known tight binding linear muffin tin orbital technique.
引用
收藏
页数:4
相关论文
共 50 条
  • [41] Ab-initio study of the structural and optoelectronic properties of BaSe1-xSx alloys
    Gagui, S.
    Zaidi, B.
    Megdoud, Y.
    Hadjoudja, B.
    Chouial, B.
    Meradji, H.
    Ghemid, S.
    Shekhar, C.
    COMPUTATIONAL CONDENSED MATTER, 2020, 22
  • [42] Half-metallic ferromagnetism in Be1-xVxTe alloys: an Ab-initio study
    Monir, M. El Amine
    Khenata, R.
    Murtaza, G.
    Baltache, H.
    Bouhemadou, A.
    Al-Douri, Y.
    Azam, S.
    Bin Omran, S.
    Din, H. Ud
    INDIAN JOURNAL OF PHYSICS, 2015, 89 (12) : 1251 - 1263
  • [43] Ab-initio study of competing magnetic configurations in cubic BiFeO3 alloys
    Koumpouras, Konstantinos
    Galanakis, Iosif
    JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2011, 323 (17) : 2328 - 2333
  • [44] Ab-Initio study of substitution at alkaline earth site on quaternary Heusler alloys LiXNiSb
    Kumar, Jagdish
    Kumar, Manish
    Raman, D. K.
    Pal, Anand
    MATERIALS RESEARCH EXPRESS, 2024, 11 (06)
  • [45] Half-metallic ferromagnetism in Be1−xVxTe alloys: an Ab-initio study
    M. El Amine Monir
    R. Khenata
    G. Murtaza
    H. Baltache
    A. Bouhemadou
    Y. Al-Douri
    S. Azam
    S. Bin Omran
    H. Ud Din
    Indian Journal of Physics, 2015, 89 : 1251 - 1263
  • [46] AB-INITIO STUDY OF THE WATER FORMALDEHYDE COMPLEX
    HA, TK
    MAKAREWICZ, J
    BAUDER, A
    JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (44): : 11415 - 11419
  • [47] PSEUDOPOTENTIAL AB-INITIO STUDY ON METHYL HALIDES
    GENG, ZY
    WANG, YC
    WEI, TS
    ACTA CHIMICA SINICA, 1994, 52 (05) : 417 - 420
  • [48] AN AB-INITIO STUDY OF THE COMPLEXES OF HCL WITH THE CHLOROMETHANES
    DELBENE, JE
    SHAVITT, I
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1994, 120 (1-2): : 9 - 17
  • [49] Ab-initio Study of Gallium Arsenide Nanowires
    Singh, Satyendra
    Srivastava, Pankaj
    Mishra, Abhay
    JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 2009, 6 (07) : 1556 - 1560
  • [50] AN AB-INITIO STUDY OF METHANOL ADSORPTION IN ZEOLITES
    GALE, JD
    CATLOW, CRA
    CARRUTHERS, JR
    CHEMICAL PHYSICS LETTERS, 1993, 216 (1-2) : 155 - 161