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Proceedings Paper

Green light emission in CsPbBr3 quantum dots: theoretical and experimental insight
Author(s): Abhishek Kumar; Nivedita Pandey; Suryansh Dongre; Subhananda Chakrabarti
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Paper Abstract

All inorganic Cesium based Lead halide perovskites exhibit unique and interesting photophysical properties arousing huge interest in the domain of photovoltaic cells and light emitting diodes (LEDs). In this communication, we present a deep theoretical insight employing Density Functional Theory (DFT) to understand the structural, electronic and photophysical properties of CsPbBr3 quantum dots (QDs). Structural analysis of CsPbBr3 QDs results in an optimized lattice parameter of 5.885 Å. Electronic properties of CsPbBr3 QDs have been investigated by means of electronic band structure, the partial density of states (PDOS) and total density of states (TDOS) calculations. A direct band gap of 2.38 eV has been observed at the Gamma (Γ) point in its Brillouin Zone. Analysis of PDOS shows upper valence band and conduction band of the CsPbBr3 are due to the Br (4p) orbital and Pb (6p) orbitals respectively. Moreover, the optical absorption coefficient has been also calculated using Kubo-Greenwood formula in a frame work of DFT. The optical absorption spectrum lies in both the visible and ultraviolet region. To confirm the feasibility of the above theoretical results, experiments have been also done. X-ray diffraction (XRD) pattern show consistent result in the lattice parameter with a calculated value of 5.841 Å. Photoluminescence (PL) has been performed to understand the optical behaviour of our prepared QDs. A high luminescence peak around 2.28 eV can be seen in the PL plot which confirms the emission of Green light from CsPbBr3 QDs. These experimental results are in a good agreement with the DFT calculated results.

Paper Details

Date Published: 25 February 2020
PDF: 6 pages
Proc. SPIE 11302, Light-Emitting Devices, Materials, and Applications XXIV, 113021X (25 February 2020); doi: 10.1117/12.2543006
Show Author Affiliations
Abhishek Kumar, Indian Institute of Technology Bombay (India)
Nivedita Pandey, Indian Institute of Technology Bombay (India)
Suryansh Dongre, Indian Institute of Technology Bombay (India)
Subhananda Chakrabarti, Indian Institute of Technology Bombay (India)

Published in SPIE Proceedings Vol. 11302:
Light-Emitting Devices, Materials, and Applications XXIV
Jong Kyu Kim; Michael R. Krames; Martin Strassburg, Editor(s)

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