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Register a new userComputational investigation on non-linear optical properties of hexaphyrin and core modified hexaphyrins
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Expanded porphyrin-based (Hexaphyrins) sensitizers are promising due to their excellent light harvesting feature in dye-sensitized solar cell (DSSC). We calculated the low-lying excitations of expanded porphyrins (EPs) as hexaphyrin and core modified hexaphyrin structures using Time-Dependent Density Functional Theory. Our calculation showed the EPs (both hexaphyrin and core modified hexaphyrin) have broad range of absorption band suitable for harvesting the visible and near infrared region of solar spectrum. All EPs studied here satisfy the energy condition of singlet fission (SF). SF is the process in which the theoretical limit of Shockley-Quiesser (SQ) (33%) can be overcome in single junction solar cell. The non-linear optical properties like first hyper polarizability $beta$ and second order hyper polarizability $gamma$ were calculated using coupled perturbed Hartree-Fock approach. From the second order NLO properties we carried out degenerate four wave mixing (DFWM) component ($gamma^{(2)}(-omega;omega,omega,-omega$)) and finally quadratic non linear refractive indices of these EPs are calculated. Calculation showed EPs are promising as organic dye for the opto-electronic applications and useful for high efficiency DSSC and also useful for potential NLO materials as their hyper polarizabilities showed higher order non linearities.
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Black phosphorus (BP) is an emerging two-dimensional semiconducting material with great potential for nanoelectronic and nanophotonic applications, especially owing to its unique anisotropic electrical and optical properties. Many theoretical studies have predicted the anisotropic optical properties of BP, but the direct experimental quantification remains challenging. The difficulties stem from the ease of BPs degradation when exposed to air in ambient conditions, and from the indirect nature of conventional approaches that are subject to large measurement uncertainties. This work reports a direct investigation of the birefringent optical constants of micrometer-thick BP samples with picosecond (ps) interferometry, over the wavelength range from 780 to 890 nm. In this ps-interferometry approach, an ultrathin (5 nm) platinum layer for launching acoustic waves naturally protects the BP flake from degradation. The birefringent optical constants of BP for light polarization along the two primary crystalline orientations, zigzag and armchair, are directly obtained via fitting the attenuated Brillouin scattering signals. A bi-exponential model is further proposed to analyze the BS signals for a random incident light polarization. The BP experimental results and the associated measurement sensitivity analysis demonstrate the reliability and accuracy of the ps-interferometry approach for capturing the polarization-dependent optical properties of birefringent materials.
The optical conductivity is the basic defining property of materials characterizing the current response toward time-dependent electric fields. In this work, following the approach of Kubos response theory, we study the general properties of the nonlinear optical conductivities of quantum many-body systems both in equilibrium and non-equilibrium. We obtain an expression of the second- and the third-order optical conductivity in terms of correlation functions and present a perturbative proof of the generalized Kohn formula proposed recently. We also discuss a generalization of the $f$-sum rule to a non-equilibrium setting by focusing on the instantaneous response.
We simulate the optical and electrical responses in gallium-doped graphene. Using density functional theory with a local density approximation, we simlutate the electronic band structure and show the effects of impurity doping (0-3.91%) in graphene on the electron density, refractive index, optical conductivity, and extinction coefficient for each doping percentages. Here, gallium atoms are placed randomly (using a 5-point average) throughout a 128-atom sheet of graphene. These calculations demonstrate the effects of hole doping due to direct atomic substitution, where it is found that a disruption in the electronic structure and electron density for small doping levels is due to impurity scattering of the electrons. However, the system continues to produce metallic or semi-metallic behavior with increasing doping levels. These calculations are compared to a purely theoretical 100% Ga sheet for comparison of conductivity. Furthermore, we examine the change in the electronic band structure, where the introduction of gallium electronic bands produces a shift in the electron bands and dissolves the characteristic Dirac cone within graphene, which leads to better electron mobility.
In several experiments involving material background, it has been observed that the Chu, Einstein-Laub and Ampere formulations of optical force lead to either different optical forces or wrong total optical force. In order to identify the exact reason behind such significant disagreements, we investigate the optical force in a number of tractor beam and lateral force experiments. We demonstrate that the modified Einstein-Laub or modified Chu formulations, obtained from two mathematical consistency conditions of force calculation, give the time-averaged force that agrees with the experiments. We consider both the chiral and achiral objects embedded in complex material backgrounds. Though the distinct formulations of optical force have been made mathematically equivalent in this work; the aspect of physical consistency of these distinct optical force formulations have also been investigated. It is known that the theory of Minkowski suggests zero bulk force inside a lossless object for which we still do not have any experimental verification. In contrast, both modified Einstein-Laub and modified Chu force formulations suggest non-zero bulk force inside a lossless object. Hence, for a future resolution of this discrepancy, we also suggest a possible experiment to investigate the bulk force and to check the validity of these distinct formulations.
Investigations of the optical response of subwavelength structure arrays milled into thin metal films has revealed surprising phenomena including reports of unexpectedly high transmission of light. Many studies have interpreted the optical coupling to the surface in terms of the resonant excitation of surface plasmon polaritons (SPPs), but other approaches involving composite diffraction of surface evanescent waves (CDEW) have also been proposed. We present here a series of measurements on very simple one-dimensional (1-D) subwavelength structures with the aim of testing key properties of the surface waves and comparing them to the CDEW and SPP models.
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