International Research journal of Management Science and Technology

  ISSN 2250 - 1959 (online) ISSN 2348 - 9367 (Print) New DOI : 10.32804/IRJMST

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DFT STUDY ON STRUCTURAL AND ELECTRONIC PROPERTIES OF ZINC-BLEND CDSE

    3 Author(s):  DIVYA,KUSUMANJALI DESHMUKH,JAGJEET KAUR SALUJA

Vol -  15, Issue- 6 ,         Page(s) : 64 - 68  (2024 ) DOI : https://doi.org/10.32804/IRJMST

Abstract

The structural and electronic properties of Cadmium Selenide (CdSe) in Zinc-Blend (ZB) structure have been investigated by Density Functional Theory (DFT) within Local Density Approximation (LDA) and Generalized Gradient Approximation (GGA) on SIESTA code.

 [1] A. Abbassi, Z. Zarhri, Ch. Azahaf, H. Ez Zahraouy and A. Benyoussef, Boltzmann equations and ab initio calculations: comparative study of cubic and wurtzite CdSe, SpringerPlus 4, 543 (2015) DOI http://www.10.1186/s40064-015-1321-z
[2] J M Galicia-Hernandez 1,∗ , A Sanchez-Castillo 2 , L Morales De La Garza 3 and Gregorio H Cocoletzi 1, Two-dimensional cadmium selenide electronic and optical properties: first principles studies, Bull. Mater. Sci., Vol. 40, No. 6, October 2017, pp. 1111–1119 DOI: http://www.10.1007/s12034-017-1471-4

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