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An analysis of the optical response of a triangular-shaped photonic band-gap prism is presented. Numerical simulations have been performed in the framework of multiple-scattering theory, which is applied considering spot illumination to avoid diffraction effects. First of all, refractive properties in the frequency range below the first TM band-gap are analyzed and compared with the available experimental data. It validates the approach employed and supports the predictions obtained in the frequency range above the gap. At these high frequencies we found an unusual superprism effect characterized by an angle- and frequency-sensitivity of the intensity of outgoing beams. We report several representative examples that could be used in device applications. The results are interpreted in terms of the corresponding semi-infinite photonic crystal, through the analysis of the coupling between external radiation and bulk eigenmodes, using the 2D Layer- Korringa-Kohn-Rostoker method. The procedure presented here constitutes a simple but functional alternative to the methods used until now with the same purpose.
By means of ab initio calculations we investigate the possibility of existence of a boron nitride (BN) porous two-dimensional nanosheet which is geometrically similar to the carbon allotrope known as biphenylene carbon. The proposed structure, which
We have predicted a new phase of nitrogen with octagon structure in our previous study, which we referred to as octa-nitrogene (ON). In this work, we make further investigation on its electronic structure. The phonon band structure has no imaginary p
We report a strain-induced direct-to-indirect band gap transition in mechanically deformed WS2 monolayers (MLs). The necessary amount of strain is attained by proton irradiation of bulk WS2 and the ensuing formation of one-ML-thick, H2-filled domes.
The density functional theory (DFT) approximations that are the most accurate for the calculation of band gap of bulk materials are hybrid functionals like HSE06, the MBJ potential, and the GLLB-SC potential. More recently, generalized gradient appro
Electronic structure of zinc blende AlN(1-x)$Px alloy has been calculated from first principles. Structural optimisation has been performed within the framework of LDA and the band-gaps calculated with the modified Becke-Jonson (MBJLDA) method. Two a