Issue 54, 2022, Issue in Progress

Electronic and optical properties of graphene, silicene, germanene, and their semi-hydrogenated systems

Abstract

We investigate the geometric, electric, and optical properties of two-dimensional honeycomb lattices using first-principles simulations. The main focus of this work is on the similarities and differences in their characteristics, as well as the delicate connection of orbital hybridizations and spin-polarizations with electronic and optical properties. Graphene, silicene, germanene, and their semi-hydrogenated systems, in turn, display sp2, sp2–sp3, and sp3s hybridizations. These bonding configurations are critical factors affecting the geometric structure, the electronic band structure, van Hove singularities in density of states, the magnetic configurations, the dielectric functions, and energy loss functions. Furthermore, the meta-stable and stable exciton states are expected to survive in pristine and semi-hydrogenated group IV monolayers, respectively. The theoretical predictions established in this work are important not only for basic science but also for high-tech applications.

Graphical abstract: Electronic and optical properties of graphene, silicene, germanene, and their semi-hydrogenated systems

Supplementary files

Article information

Article type
Paper
Submitted
24 Oct 2022
Accepted
28 Nov 2022
First published
06 Dec 2022
This article is Open Access
Creative Commons BY license

RSC Adv., 2022,12, 34851-34865

Electronic and optical properties of graphene, silicene, germanene, and their semi-hydrogenated systems

V. Khuong Dien, W. Li, Kuang-I. Lin, N. Thi Han and M. Lin, RSC Adv., 2022, 12, 34851 DOI: 10.1039/D2RA06722F

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

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