Related papers: High-order and adaptive optical conductivity calcu…
The calculation of potential energy surfaces for quantum dynamics can be a time consuming task -- especially when a high level of theory for the electronic structure calculation is required. We propose an adaptive interpolation algorithm…
With its monoelemental composition, various crystalline forms and an inherently strong spin-orbit coupling, bismuth has been regarded as an ideal prototype material to expand our understanding of topological electronic structures. In…
We study the role of hopping matrix elements of the position operator $\mathbf{\hat{r}}$ in tight-binding calculations of linear and nonlinear optical properties of solids. Our analysis relies on a Wannier-interpolation scheme based on…
We present an efficient first-principles approach for calculating Fermi surface averages and spectral properties of solids, and use it to compute the low-field Hall coefficient of several cubic metals and the magnetic circular dichroism of…
Capturing data from dynamic processes through cross-sectional measurements is seen in many fields, such as computational biology. Trajectory inference deals with the challenge of reconstructing continuous processes from such observations.…
Thermal properties are of great interest in modern electronic devices and nanostructures. Calculating these properties is straightforward when the device is made from a pure material, but problems arise when alloys are used. Specifically,…
We propose an efficient numerical method to compute the $k$-space second Chern number in four-dimensional (4D) topological systems. Our approach employs an adaptive mesh refinement scheme to evaluate the Brillouin-zone integral, which…
The I-table contains luminous intensity values over the range of angles for the luminaires used in the road lighting in accordance with technical report CIE 121:1996. A limited number of angles causes smoothing of the luminous intensity…
We calculate the finite-frequency conductivity of bilayer graphene with a relative twist between the layers. The low frequency response at zero doping shows a flat conductivity with value twice that of the monolayer case and at higher…
An efficient method for calculating the electronic structure of systems that need a very fine sampling of the Brillouin zone is presented. The method is based on the variational optimization of a "single" (i.e. common to all points in the…
The electronic structure of solids can routinely be calculated by standard methods like density functional theory. However, in complicated situations like interfaces, grain boundaries or contact geometries one needs to resort to more…
The optical conductivity along and perpendicular to the planes is calculated assuming strong k-dependence of the scattering rate and the c-axis hopping parameter. Closed analytical expressions for the optical conductivy along these…
Maximally localized Wannier functions use the gauge freedom of Bloch wavefunctions to define the optimally smooth subspace with matrix elements that depend smoothly on crystal momentum. The associated Wannier functions are real-space…
Quantum transduction, the process of converting quantum signals from one form of energy to another is a key step in harnessing different physical platforms and the associated qubits for quantum information processing. Optoelectromechanics…
Fourier ptychography captures intensity images with varying source patterns (illumination angles) in order to computationally reconstruct large space-bandwidth-product images. Accurate knowledge of the illumination angles is necessary for…
Generating ultra-low linewidths and high output power in an integrated single mode laser remains a critical challenge for future compact, portable, precision applications. Moreso, achieving these characteristics in a laser design that…
We present a longitudinal electrical conductivity calculation method for disordered alloys applicable from a wide range of density functional theory (DFT) codes based on the first-principles Wannier-based coherent potential approximation…
In this work, we propose an adaptive spectral element algorithm for solving nonlinear optimal control problems. The method employs orthogonal collocation at the shifted Gegenbauer-Gauss points combined with very accurate and stable…
We address the optical conductivity of undoped bilayer graphene in the presence of a finite bias voltage at finite temperature. The effects of gap parameter and stacking type on optical conductivity are discussed in the context of tight…
The interaction of optical and acoustic waves via stimulated Brillouin scattering (SBS) has recently reached on-chip platforms, which has opened new fields of applications ranging from integrated microwave photonics and on-chip…