Related papers: Translating XPS Measurement Procedure for Band Ali…
We present an approach to studying optical band gaps in real solids in which quantum Monte Carlo methods allow for the application of a rigorous variational principle to both ground and excited state wave functions. In tests that include…
In the search for new renewable energy to replace fossil fuels, Hydrogen is one of the most promising candidates for clean energy production. But cheap Hydrogen separation and storage is still a big challenge. Photoelectrochemical devices…
A method of measuring the thickness of steel plates using through transmission of an acoustic pulse is demonstrated. This study has been done on a stainless steel plate with regions of thickness 10:0 mm, 9:8 mm, and 9:6 mm, using broadband…
We present a first-principles method for deriving effective low-energy models of electrons in solids having entangled band structure. The procedure starts with dividing the Hilbert space into two subspaces, the low-energy part ("$d$…
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)…
Recent realizations of exotic topological states in condensed matter and cold atoms have advanced the exploration for topological characteristics, such as invariant topological orders and band inversion. Here we construct a 1D optical…
The Mg2X (X=Si, Ge, Sn) based alloy is an eco-friendly thermoelectric material for mid-temperature applications. The Mg2Si1-xSnx and Mg2Ge1-xSnx alloys can be phase-separated into Si(Ge)- and Sn-rich phases during material synthesis,…
We propose a robust optimization approach for constructing confidence bands for stochastic processes using a finite number of simulated sample paths. Our approach can be used to quantify uncertainty in realizations of stochastic processes…
Photonic band gaps for the soft x-rays, formed in the periodic structures of solids or dense plasmas, are theoretically investigated. Optical manipulation mechanisms for the soft x-rays, which are based on these band gaps, are…
We present a careful recasting of first-principles band structure calculations for MgB2 in a non-orthogonal sp-tight-binding (TB) basis. Our TB results almost exactly reproduce our full potential linearized augmented plane wave results for…
We propose the design of an impedance matching acoustic bend in this article. The bending structure is composed of sub-wavelength unit cells with perforated plates and side pipes, whose mass density and bulk modulus can be tuned…
The Hubbard model, which augments independent-electron band theory with a single parameter to describe electron-electron correlations, is widely regarded to be the `standard model' of condensed matter physics. The model has been remarkably…
In this paper, we employ an electron beam writer as metrology tool to investigate distortion of an exposed pattern of alignment marks in heterogeneously bonded InP on silicon. After experimental study of three different bonding and…
Band structure unfolding is a key technique for analyzing and simplifying the electronic band structure of large, internally distorted supercells that break the primitive cell's translational symmetry. In this work, we present an efficient…
We present a new measurement principle to determine the absolute time delay of a waveform from an optical reference plane to an electrical reference plane and vice versa. We demonstrate a method based on this principle with 2 ps…
Assuming a banded structure is one of the common practice in the estimation of high-dimensional precision matrix. In this case, estimating the bandwidth of the precision matrix is a crucial initial step for subsequent analysis. Although…
This paper develops a method to construct uniform confidence bands for a nonparametric regression function where a predictor variable is subject to a measurement error. We allow for the distribution of the measurement error to be unknown,…
We present a novel method for active continuous-tuning of a band gap which has a great potential to revolutionize current photonic technologies. We study a periodic structure of x and y-aligned nanorod dimers. Refractive index of a…
Band alignment (or band convergence) is a strategy suggested to provide improvements in the thermoelectric power factor (PF) of materials with complex bandstructures. The addition of more bands at the energy region that contributes to…
Band theory provides the foundation for understanding electronic structure in crystalline materials, but its reliance on exact translational symmetry limits its applicability to systems with defects, disorder, incommensurate modulations, or…