Optical properties of two-dimensional honeycomb crystals graphene, silicene, germanene, and tinene from first principles
TLDR
In this article, the optical conductivity of 2D honeycomb crystals is computed using independent-quasiparticle approximation of the complex dielectric function for optical interband transitions.Abstract:
We compute the optical conductivity of 2D honeycomb crystals beyond the usual Dirac-cone approximation. The calculations are mainly based on the independent-quasiparticle approximation of the complex dielectric function for optical interband transitions. The full band structures are taken into account. In the case of silicene, the influence of excitonic effects is also studied. Special care is taken to derive converged spectra with respect to the number of k points in the Brillouin zone and the number of bands. In this way both the real and imaginary parts of the optical conductivity are correctly described for small and large frequencies. The results are applied to predict the optical properties reflection, transmission and absorption in a wide range of photon energies. They are discussed in the light of the available experimental data.read more
Citations
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VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code
TL;DR: VASPKIT as mentioned in this paper is a command-line program that aims at providing a robust and user-friendly interface to perform high-throughput analysis of a variety of material properties from the raw data produced by the VASP code.
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Rise of silicene: A competitive 2D material
Jijun Zhao,Hongsheng Liu,Zhi-Ming Yu,Ruge Quhe,Ruge Quhe,Si Zhou,Yangyang Wang,Cheng-Cheng Liu,Hongxia Zhong,Nannan Han,Jing Lu,Yugui Yao,Kehui Wu +12 more
TL;DR: In this paper, a comprehensive review of all the important theoretical and experimental advances on silicene to date, from the basic theory of intrinsic properties, experimental synthesis and characterization, modulation of physical properties by modifications, and finally to device explorations is presented.
Journal ArticleDOI
Continuous germanene layer on Al(111).
Mickael Derivaz,D. Dentel,Régis Stephan,Marie-Christine Hanf,Ahmed Mehdaoui,Philippe Sonnet,Carmelo Pirri +6 more
TL;DR: Germanene, a 2D honeycomb structure similar to silicene, has been fabricated on Al(111) and first-principles calculations indicate that the Ge atoms accommodate in a very regular atomic configuration with a buckled conformation.
Journal ArticleDOI
Silicene, silicene derivatives, and their device applications.
TL;DR: The unique allotropic affinity of silicene with single-crystalline bulk silicon suggests a more direct path for the integration with or revolution to ubiquitous semiconductor technology.
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Recent progress on graphene-analogous 2D nanomaterials: Properties, modeling and applications
TL;DR: A comprehensive review of recent progress on the properties, modeling investigations and applications of graphene-analogous 2D nanomaterials is provided in this paper, where the main modeling techniques of ab initio calculation and molecular dynamics simulation for the theoretical study of GANOMs are introduced, followed by the detailed discussion on the critical findings for each material.
References
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Georg Kresse,Jürgen Furthmüller +1 more
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