ArticleNanoscale advances2023
Optical excitations of graphene-like materials: group III-nitrides.
Article in Nanoscale advances, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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Who cites it
3 citing papers in PubMed.
- DFT-based exploration of pressure effects on the physical properties of Zinc-blende materials XM (X = Ga, In; M = As, N) for optoelectronic devices.Scientific reports · 2026Article
- High-throughput screening on optoelectronic properties of two-dimensional InN/GaN heterostructure from first principles.Journal of molecular modeling · 2024Article
- Electronic, magnetic, and optical properties of Np and Pu decorated armchair graphene nanoribbons: a DFT study.Nanoscale advances · 2024Article
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Authors and funding
4 authors.
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Abstract
By using first-principles calculations, we have studied the electronic and optical characteristics of group III-nitrides, such as BN, AlN, GaN, and InN monolayers. The optimized geometry, quasi-particle energy spectra, charge density distributions, band-decomposed charge densities, and Van Hove singularities in density of states are described in the work using physical and chemical pictures and orbital hybridizations found in B-N, Al-N, Ga-N, and In-N chemical bonds. Moreover, the dielectric functions, energy loss functions, absorption coefficients, and reflectance spectra with electron-hole interactions of optical properties are successfully achieved. More importantly, the close relations between electronic and optical properties are successfully demonstrated. The theoretical framework will be useful to research other graphene-like materials.
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