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General Questions and Answers / Re: Bandstructure of B-P nanosheet not calculated correctly
« on: April 9, 2024, 06:33 »
Thank you. After doing DFT, I got closely accurate bandgap of 0.89ev.
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General Questions and Answers / Bandstructure of B-P nanosheet not calculated correctly
« on: April 2, 2024, 08:48 »
I am trying to calculate the bandstructure of Boron phosphide nanosheet, however I am getting 0 ev direct bandgap which is not correct.
I am attaching the script file, can someone please help me?
Reference: H. Li, Y. Zhou, and J. Dong, ‘First-Principles Study of the Electron Transport Properties of Graphene-Like 2D Materials’, Nanoelectronics and Materials Development. InTech, Jul. 27, 2016. doi: 10.5772/64109.
I am attaching the script file, can someone please help me?
Reference: H. Li, Y. Zhou, and J. Dong, ‘First-Principles Study of the Electron Transport Properties of Graphene-Like 2D Materials’, Nanoelectronics and Materials Development. InTech, Jul. 27, 2016. doi: 10.5772/64109.
Pages: [1]