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Author Topic: Optical band gap  (Read 2657 times)

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Offline Om Prakash Upadhyay

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Optical band gap
« on: October 15, 2016, 12:36 »
How ca we find the optical band gap of semiconductor using DFT_ATK????
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Offline Petr Khomyakov

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Re: Optical band gap
« Reply #1 on: October 16, 2016, 12:55 »
For that, you have to calculate the band structure of your semiconductor, e.g., see the tutorial http://docs.quantumwise.com/tutorials/intro_vnl_atk1/intro_vnl_atk1.html.
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