Planar buckling controlled optical conductivity of SiC monolayer from Deep-UV to visible light region: A first-principles study

نویسندگان

چکیده

The electrical and optical properties of flat planar buckled siligraphene (SiC) monolayer are examined using a first principles approach. Buckling between the Si C atoms in SiC structures influences impacts 2D nanomaterial, according to our results. electron density is calculated, as well effects buckling on it. According findings, semiconductor nanomaterial with direct electronic band gap that decreases rises. contributions states differ owing changes system’s structure. Another explanation reduces sp2 overlapping, breaking bond symmetry causing it become sp3 bond. We show increased alters monolayer’s optical, mechanical, thermal properties. A managed increases conductivity significant shift far visible range, all spectra features red shifted, still remaining visible. Instead σ-σ covalent bond, hybridization produces stronger σ-π Optical characteristics such dielectric function, absorbance, investigated for both parallel perpendicular polarization incoming electric field systems. findings influenced these two polarizations, change spectrum from near ability manipulate this critical material through opens up new technological possibilities, especially optoelectronic devices.

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ژورنال

عنوان ژورنال: Materials Chemistry and Physics

سال: 2023

ISSN: ['0254-0584', '1879-3312']

DOI: https://doi.org/10.1016/j.matchemphys.2023.127395