What is it about?
In summary, we have presented the results of (Density Functional Theory) DFT calculations to investigate the stability, structural, electronic, and optical properties of two-dimensional graphene-like g-GaN. This work is inspired from one of my colleagues who studied his/her PhD thesis in III-N materials back in Manchester, UK.
Photo by Terry Vlisidis on Unsplash
Why is it important?
The Kohn-Sham bandstructure, optical spectra and elastic constants at (Heyd-Scuseria-Ernzerhof) HSE03 level provide more accurate estimates on the nature and the value of the main bandgap, absorption onsets, and other mechanical properties in comparison with “pure” exchange-correlation functionals.
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This page is a summary of: Evaluation of the structural, electronic, optical, elastic, mechanical, and vibrational properties of graphene-like g-GaN using density functional theory, AIP Advances, November 2021, American Institute of Physics, DOI: 10.1063/5.0063765.
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