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.

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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.


Overall, one can say that the two-dimensional g-GaN have more intense optical activity in the (vacuum ultra-violet) VUV range. We believe that the diverse and interesting properties exhibited by the g-GaN material in this theoretical study will stimulate research, leading eventually to their synthesis and applications.

Dr Geoffrey Tse
Southern University of Science and Technology

Read the Original

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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