EFFECT OF INDIUM VACANCY POINT DEFECT ON THE STRUCTURAL, ELECTRONIC AND OPTICAL PROPERTIES OF DOUBLE PEROVSKITE HALIDE Cs2InSbCl6: EFFECT OF INDIUM VACANCY POINT DEFECT ON THE PROPERTIES OF DOUBLE PEROVSKITE HALIDE

Ismail Magaji; Alhassan  Shuaibu; Mustapha Isah; Abubakar kauru Yahaya; Abdulkareem Hussaini

doi:10.4314/njt.v41i5.5

EFFECT OF INDIUM VACANCY POINT DEFECT ON THE STRUCTURAL, ELECTRONIC AND OPTICAL PROPERTIES OF DOUBLE PEROVSKITE HALIDE Cs2InSbCl6

EFFECT OF INDIUM VACANCY POINT DEFECT ON THE PROPERTIES OF DOUBLE PEROVSKITE HALIDE

Authors

Ismail Magaji Kaduna State University, Kaduna
Alhassan Shuaibu Department of Physics, Faculty of Science, Kaduna State University, P.M.B, 2339, Kaduna, Nigeria.
Mustapha Isah Department of Physics, Faculty of Science, Kaduna State University, P.M.B, 2339, Kaduna, Nigeria.
Abubakar kauru Yahaya Department of Physics, Faculty of Science, Kaduna State University, P.M.B, 2339, Kaduna, Nigeria.
Abdulkareem Hussaini Department of Physics, Faculty of Science, Kaduna State University, P.M.B, 2339, Kaduna, Nigeria.

DOI:

https://doi.org/10.4314/njt.v41i5.5

Keywords:

vacancy, defect, solar cell

Abstract

Efforts to replace the lead-based perovskite have gain significant improvements in the last decade. Lead free double halide perovskite are being considered to replace the toxic lead-based perovskite materials for solar cell applications. Density functional theory (DFT) and linear response time-dependent density functional theory (TDDFT) are used in this study to simulate and investigate the effect of vacancy in the Indium (In) site of lead-free double halide perovskite A₂BB′X₆(A = Cs; B = In, B′ = Sb; X = Cl) on the structural, electronic, and optical properties for possible solar cell application. On the structural properties, the total bond length of the material Cs₂InSbCl₆ was found to be 30.3848 Å and the creation of the indium vacancy raises the value to 30.594 Å. The bulk modulus of Cs₂InSbCl₆ was calculated to be 28.44 Gpa and 26.22 Gpa for Cs₂In_-xSbCl₆_.The calculated band structure for Cs₂InSbCl₆reveals semiconducting behavior with a direct energy band gap of 0.99 eV along

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Published

2022-11-08

Issue

Vol. 41 No. 5 (2022): NIGERIAN JOURNAL OF TECHNOLOGY

Section

Chemical, Industrial, Materials, Mechanical, Metallurgical, Petroleum & Production Engineering

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How to Cite

EFFECT OF INDIUM VACANCY POINT DEFECT ON THE STRUCTURAL, ELECTRONIC AND OPTICAL PROPERTIES OF DOUBLE PEROVSKITE HALIDE Cs2InSbCl6: EFFECT OF INDIUM VACANCY POINT DEFECT ON THE PROPERTIES OF DOUBLE PEROVSKITE HALIDE. (2022). Nigerian Journal of Technology, 41(5), 854-861. https://doi.org/10.4314/njt.v41i5.5