I want to calculate the band gap of doped / alloyed Semiconductor thin films based on ZnO (Zinc Oxide) and the alloying elements such as Copper, Magnesium, Manganese.
I want to do this theoretically and match it with the experimental results.
Hi Abdelkader,
I just had a quick review on your attached paper. It seems you have not used any software on the raised question. Have you?
@Jalal
Yes. Even I didn't find any theoretical calculations or any software related information in the paper given by Mr. Abdelkader.
@Chandra
Thank you. Can you suggest some papers related to theoretical work on band structures and band gap calculations of doped/alloyed Semiconductors?
These articles may help you
Hai Xiao, Jamil Tahir-Kheli, and William A. Goddard,
Accurate Band Gaps for Semiconductors from Density Functional Theory
J. Phys. Chem. Lett., 2011, 2 (3), pp 212–217
DOI: 10.1021/jz101565j
Aron Walsh, etal, Limits to Doping of Wide Band Gap Semiconductors, Chem. Mater. 25, 15, 2924-2926
https://pubs.acs.org/doi/full/10.1021/cm402237s
H Q Yang, etal, First-principle study of the electronic band structure and the effective mass of the ternary alloy GaxIn1−xP,
Journal of Physics: Conference Series 574 (2015) 012048
http://iopscience.iop.org/article/10.1088/1742-6596/574/1/012048/pdf
Antonis N. Andriotis, Band Gap Engineering via Doping: A Predictive Approach
Journal of Applied Physics, v. 117, no. 12, article 125708, p. 1-9.
https://uknowledge.uky.edu/cgi/viewcontent.cgi?article=1000&context=ccs_facpub
Investigation of structural, electronic, elastic and optical properties of Cd1-x-yZnxHgyTe alloys
AIP ADVANCES 6, 065115 (2016)
https://aip.scitation.org/doi/pdf/10.1063/1.4954396
M Guden and J Piprek, Material parameters of quaternary III–V semiconductors for multilayer mirrors at 1.55 µm wavelength
Modelling Simul. Mater. Sci. Eng. 4 (1996) 349–357.
https://pdfs.semanticscholar.org/fa4e/7d534f89bec4c37f64ce4effc52781ad8fb5.pdf
https://www.instanano.com/2020/05/draw-tauc-plot-from-uv-vis-absorbance.html
- Badges
- Science topic