Theoretical characterization and band gap tuning of Snx(GeSe2)100-x thin films
Co-ordination Number, Conduction Valance Band, Constraints Number, Heat of Atomization, X-ray diffraction
The ternary compounds Snx(GeSe2)100-x ((0≤x≤24 at. %) were prepared in glassy thin films. Using the chemical bond approach, theoretical calculations of effects of Sn content on mean coordination number (CN), constraints number (Ns), molar volume (Vm), compactness (δ), heat of atomization (Hs), cohesive energy (CE), overall difference of electronegativity (Δχ) as well as the degree of iconicity (Ion) were discussed. Optical absorbance has been measured in order to evaluate experimentally the band gap (Eg) and the band tail’s width (Ee). In addition, conduction-valence bands positions were estimated when changing Sn content. Increasing Sn content from 0 to 24 at. %, decreases Eg from 2.01 to 1.28 eV. Three theoretical estimations of the variations of the band gap with Sn content were critically compared to experimental values. Obviously, the combination of the estimated band gap from Δχ and contributions of the formed bonds gives the best adjustment.
"Theoretical characterization and band gap tuning of Snx(GeSe2)100-x thin films", IJSDR - International Journal of Scientific Development and Research (www.IJSDR.org), ISSN:2455-2631, Vol.6, Issue 8, page no.122 - 131, August-2021, Available :https://ijsdr.org/papers/IJSDR2108021.pdf
Volume 6
Issue 8,
August-2021
Pages : 122 - 131
Paper Reg. ID: IJSDR_201045
Published Paper Id: IJSDR2108021
Downloads: 000347162
Research Area: Engineering
Country: -, -, -
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
