First principles study on structural and electronic properties of hexagonal CdSe for improved efficiency of solar panel
DFT, SIESTA, electronic band gap.
Cadmium Selenide (CdSe) in hexagonal structure investigated by First Principles study with local density approximation (LDA) and generalized gradient approximation (GGA) using the SIESTA code for their structural and electronic properties. A hexagonal CdSe structure with bond length of 2.69 Å and bond angle of 109.36º was found. For calculation, electronic properties of hexagonal CdSe are obtained by k-point sampling and cut off energy, then DOS, PDOS and band structures are obtained. Results indicate different band gap values for the compounds, and the calculated values are underestimated. According to DOS calculation energy gap between the valance and the conduction band is 1.29eV same as PDOS calculation, founded smaller then experimental band gap value 1.74 eV, and it is direct band gap nature. As the band gap decreases, the efficiency of the CdSe thin films used in solar cells increases.
"First principles study on structural and electronic properties of hexagonal CdSe for improved efficiency of solar panel", IJSDR - International Journal of Scientific Development and Research (www.IJSDR.org), ISSN:2455-2631, Vol.10, Issue 1, page no.a539-a542, January-2025, Available :https://ijsdr.org/papers/IJSDR2412059.pdf
Volume 10
Issue 1,
January-2025
Pages : a539-a542
Paper Reg. ID: IJSDR_300103
Published Paper Id: IJSDR2412059
Downloads: 000347241
Research Area: Physics All
Country: durg, chhattisgarh, India
ISSN: 2455-2631 | IMPACT FACTOR: 9.15 Calculated By Google Scholar | ESTD YEAR: 2016
An International Scholarly Open Access Journal, Peer-Reviewed, Refereed Journal Impact Factor 9.15 Calculate by Google Scholar and Semantic Scholar | AI-Powered Research Tool, Multidisciplinary, Monthly, Multilanguage Journal Indexing in All Major Database & Metadata, Citation Generator
Publisher: IJSDR(IJ Publication) Janvi Wave
