Hello!
Could anybody help me please? How can I calculate band gap from band structure and dos? Example is attached.
Reduce the scale along the Y-axis near the Fermi level. This will help you find out the VBM (should be below the Fermi level) and CBM of the structure.
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In some materials, properties such as band gap, thermal conductivity differ along different crystallographic axes. What are the basics?
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I have a direct band gap material and an indirect band gap material. If I made a composite of both through physical mixing. Then how can I determine the band gap of such a material as the Tauc...
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08 January 2021 5,646 6 View
I am looking for methods to calculate the band potential of ZnFe2O4 and Fe2O3.
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If you have any paper about types of injective modules and applied with GAP programming, please send me to the Email: [email protected]
28 December 2020 9,521 2 View
I am calculating the phonon contribution to thermal conductivity for 4 perovskites (BaZrO3, BaSnO3, BaHfO3, and KTaO3) with relatively wide bandgap. When I compare my results for BaZrO3 to the...
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We have synthesized the ZrO2 nanoparticles through wet chemical method. To come to conclusion ZrO2 is direct or indirect band semiconductor. We need to calculate band gap using Brus formula....
26 December 2020 1,471 4 View