We study the band valley modification induced by isotropic strain in monolayer WSe2 using the non-local van der Waals density functionals theory including the spin–orbit coupling effect. The dominant contributions of orbitals to the band extrema, spin splitting, and exciton diversity in monolayer WSe2 are visually displayed. The vertical shift of the d and p partial orbitals of W and Se atoms, respectively, at band edges under strain results in a notable reduction of the bandgap. Under tensile strain, the deformations of the band valleys lead to an additional appearance of optical excitons and the disappearance of momentum excitons. Therefore, the experimental observations of the changes in the radiation spectra such as the redshift of A and B excitons, blueshift of C and D excitons, enhancement of intensity, localization, and symmetrization of the exciton resonances can be explained thoroughly. Under compression, the band valley modification may lead to an additional appearance of momentum excitons and the disappearance of optical excitons. The compression is predicted to cause the blueshift of A and B excitons while it brings the redshift to C and D excitons. An asymmetric broadening and intensity de-enhancement of the exciton resonances are also found when a compression strain is applied. The modification of the band valleys can be explained by the enhancement/reduction of hybridization between orbitals under strain. These results offer new perspectives to comprehend the appearance/disappearance of the excitons in monolayer transition metal dichalcogenide materials upon mechanical perturbation.
Conventional Distorted Born Iterative Method (DBIM) using single frequency has low resolution and is prone to creating images with high-contrast subjects. We propose a productive frequency combination method to better result in tomographic ultrasound imaging based on the multi-frequency technique. This study uses the natural mechanism of emitting oscillators' frequencies and uses these frequencies for imaging in iterations. We use a fundamental tone (i.e., the starting frequency f0) for the first iteration in DBIM, then consecutively use its overtones for the next ones. The digital simulation scenarios are tested with other multi-frequency approaches to prove our method's feasibility. We performed 57 different simulation scenarios on the use of multi-frequency information for the DBIM method. As a result, the proposed method for the smallest normalization error (RRE = 0.757). The proposed method's imaging time is not significantly longer than the way of using single frequency information.
The most useful feature of ultrasound tomography founded on the inverse scattering theory is that it can detect small structures below the wavelength of the pressure wave. A popular method introduced in ultrasound tomography is the Distorted Born Iterative Method (DBIM). Recently, the dual-frequency combination technique has been utilized to improve the reconstruction quality and increase the convergence rate of the DBIM. This method uses two frequencies, f 1 (low) and f 2 (high), to estimate the sound contrast in N f 1 and N f 2 iterations, respectively. However, the influence of these iteration parameters on the overall performance of the system is not yet known. In this paper, it is shown by using the simulation technique that if we do not pay attention to the choice of these parameters, the reconstruction quality might be worse than that using a single frequency. Furthermore, we focus on the best way to select the parameters in order to improve the reconstruction quality of ultrasound tomography. Given a fixed sum N iter of N f 1 and N f 2 , simulation results show that the best value of N f 1 is N iter /2; this choice of parameters offers a normalized error that reduces by 67.6%, compared to the conventional DBIM using a single frequency.
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