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

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


Download (1MB) | Preview


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.

[error in script]
IITH Creators:
IITH CreatorsORCiD
Kanchana, VenkatakrishananUNSPECIFIED
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: 18 Feb 2022 10:21
URI: http://raiith.iith.ac.in/id/eprint/5179
Publisher URL:
Related URLs:

    Actions (login required)

    View Item View Item
    Statistics for RAIITH ePrint 5179 Statistics for this ePrint Item