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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Abstract

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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IITH Creators:
IITH CreatorsORCiD
Kanchana, VUNSPECIFIED
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
Publisher URL:
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