Estimation Enhancing in Optoelectronic Property: A Novel Approach Using Orbital Interaction Parameters and Tight-Binding (2408.16329v1)

Abstract: This paper advocates for an innovative approach designed for estimating optoelectronic properties of quantum structures utilizing Tight-Binding (TB) theory. Predicated on the comparative analysis between estimated and actual properties, the study strives to validate the efficacy of this proposed technique; focusing notably on the computation of bandgap energy. It is observed that preceding methodologies offered a restricted accuracy when predicting complex structures like super-lattices and quantum wells. To address this gap, we propose a methodology involving three distinct phases using orbital interaction parameters (OIPs) and the TB theory. The research employed Aluminium Arsenide (AlAs) and Gallium Arsenide (GaAs) as the primary bulk materials. Our novel approach introduces a computation framework that first focuses on bulk computation, subsequently expanding to super-lattice structures. The findings of this research demonstrate promising results regarding the accuracy of predicated optoelectronic properties, particularly the cut-off wavelength. This study paves the way for future research, potentially enhancing the precision of the proposed methodology and its application scope within the field of quantum optoelectronics.