Optical Properties of CuAlX4 (X: Cl, Br): A First Principles Study

Singh, Satyander and Kanchana, V (2019) Optical Properties of CuAlX4 (X: Cl, Br): A First Principles Study. Masters thesis, Indian institute of technology Hyderabad.

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We report the electronic structure and optical properties of Copper based halides within the frame work of Density Functional Theory (DFT). The optimized parameters are in good agreement with experimental values. These systems are found to be semiconductor. It is evident from the band structure plots. The calculated optical properties reveal that the investigated systems would have future applications which can be explored.

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Item Type: Thesis (Masters)
Uncontrolled Keywords: Density functional theory, Scintillator
Subjects: Physics
Divisions: Department of Physics
Depositing User: Team Library
Date Deposited: 16 May 2019 04:26
Last Modified: 16 May 2019 04:26
URI: http://raiith.iith.ac.in/id/eprint/5179
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