Research on characteristic properties of ASiGe nanoribbons materials for nanoelectronics and optoelectronics applications

The paper presents the properties of the armchair SiGe nanoribbons material configuration. Through the VASP calculation program, some basic characteristic properties of electricity, magnetism, optics such as electronic band structure, density of states, charge density distribution, spin density distribution, real and imaginary parts of dielectric functions, JDOS spectroscopy, as well as the rate of optical absorption and reflection according to the wavelength of incoming light surveyed and evaluated. The results show that the ASiGeNR structural system has a direct band gap about 0.2410 eV, which opens at the  point. There is a hybrid of sp2 and sp3 mixtures in the ASiGeNRs; the strength of σ bonds is relatively stronger than that of π bonds; ASiGeNR systems can allow electromagnetic waves to pass through, at most in the z-direction; the respective energy levels and directions in which the AsiGeNR structure absorbs or disperses energy most around 1.5 eV and 4.2 eV in the y and z directi..., , , # Research on characteristic properties of ASiGe nanoribbons materials for nanoelectronics and optoelectronics applications

(DOI): doi:10.5061/dryad.x69p8czst

## Description of the data

INCAR: contains all keywords and tells VASP what to calculate
POSCAR: contains lattice parameters, atomic coordinates information, and atomic velocity information
KPOINTS: contains K-points information in the reciprocal space at which the wave function integrates to obtain the charge density
CONTCAR: contains post-optimized structural information
OUTCAR: contains information about calculation results

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