Related papers: Efficient ab-initio method for the calculation of …
A modified core-to-valence band maximum approach is applied to calculate band offsets of strained III/V semiconductor hetero junctions. The method is used for the analysis of (In,Ga)As/GaAs/Ga(As,Sb) multi-quantum well structures. The…
We present a new first-principle theory for the calculation of the macroscopic second-order susceptibility chi^(2), based on the Time-Dependent Density-Functional Theory approach. Our method allows to include straightforwardly the many-body…
We propose a computational framework to extract non-linear response functions from real-time simulations in the presence of more than one external field. We apply this approach to the calculation of sum frequency generation (SFG) and…
Second and third harmonic generation in the opaque region of a GaAs wafer is experimentally observed both in transmission and reflection. These harmonic components can propagate through an opaque material as long as the pump is tuned to a…
Nonlinear frequency conversion plays a crucial role in advancing the functionality of next-generation optical systems. Portable metrology references and quantum networks will demand highly efficient second-order nonlinear devices, and the…
We present a novel spectroscopic technique for second harmonic generation (SHG) using femtosecond laser pulses at 30~kHz repetition rate, which nevertheless provides high spectral resolution limited only by the spectrometer. The potential…
Stochastic approximation (SA) algorithms have been widely applied in minimization problems when the loss functions and/or the gradient information are only accessible through noisy evaluations. Stochastic gradient (SG) descent---a…
We conduct a theoretical and numerical study on the second-harmonic (SH) optical response of a nano-structured metamaterial composed of a periodic array of inclusions. Both the inclusions and their surrounding matrix are made of…
We report results from an efficient, robust, ab-initio method for self-consistent calculations of electronic and structural properties of Ge. Our non-relativistic calculations employed a generalized gradient approximation (GGA) potential…
Two-dimensional materials constitute an exciting platform for nonlinear optics with large nonlinearities that are tunable by gating. Hence, gate-tunable harmonic generation and intensity-dependent refraction have been observed in e.g.…
We consider finite element methods of multiscale type to approximate solutions for two-dimensional symmetric elliptic partial differential equations with heterogeneous $L^\infty$ coefficients. The methods are of Galerkin type and follow the…
We review the simple linear muffin-tin orbital method in the atomic-spheres approximation and a tight-binding representation (TB-LMTO-ASA method), and show how it can be generalized to an accurate and robust Nth order muffin-tin orbital…
Optical second-harmonic generation is demonstrated to be a sensitive probe of the buried interface between the lattice matched semiconductors gallium phosphide and silicon with (001) orientation. Rotational anisotropy measurements of SHG…
Second-order nonlinear optical interactions, including second harmonic generation (SHG) and sum-frequency generation (SFG), can reveal a wealth of information about chemical, electronic, and vibrational dynamics at the nanoscale. Here, we…
We describe an approach based on topology optimization that enables automatic discovery of wavelength-scale photonic structures for achieving high-efficiency second-harmonic generation (SHG). A key distinction from previous formulation and…
We report results from a fast, efficient, and first-principles full-potential N$^{th}$-order muffin-tin orbital (FP-NMTO) method combined with van Leeuwen-Baerends correction to local density exchange-correlation potential. We show that…
Lattice gas algorithms (LGA) are a class of algorithms including, in chronological order, binary lattice gas cellular automata (LGCA), integer lattice gas algorithms (ILGA) and lattice Boltzmann method (LBM). They are largely used for…
The LDA-1/2 method for self-energy correction is a powerful tool for calculating accurate band structures of semiconductors, while keeping the computational load as low as standard LDA. Nevertheless, controversies remain regarding the…
A double-ridge waveguide is designed for efficient and robust second-harmonic generation (SHG) using the thin-film lithium-niobate-on-insulator (LNOI) platform. Perfect phase matching (PhM) is achieved between the fundamental waveguide mode…
In this paper, we develop a gradient recovery based linear (GRBL) finite element method (FEM) and a Hessian recovery based linear (HRBL) FEM for second order elliptic equations in non-divergence form. The elliptic equation is casted into a…