相关论文: Translating XPS Measurement Procedure for Band Ali…

The electronic structure of \graySn(001) thin films strained compressively in-plane was studied both experimentally and theoretically. A new topological surface state (TSS) located entirely within the gapless projected bulk bands is…

Estimation of the high-dimensional banded covariance matrix is widely used in multivariate statistical analysis. To ensure the validity of estimation, we aim to test the hypothesis that the covariance matrix is banded with a certain…

Most superconducting mechanisms pair electrons within the same band, forming spin singlets. However, the discovery of multi-band superconductivity has opened new scenarios for pairing, particularly in systems with strong spin-orbit…

Accurate measurements of the nanoscale electromechanical coupling in materials, including piezo and ferroelectrics, twisted 2D layers, and biological systems is of both fundamental scientific and applied importance. Piezoresponse Force…

Three independent techniques are used to separate fine structure from the absorption spectra, the background function in which is approximated by (i) smoothing spline. We propose a new reliable criterion for determination of smoothing…

In this paper, we present a new approach for the exact calculation of band structure in one-dimensional periodic media, such as photonic crystals and superlattices, based on the recently reported differential transfer matrix method (DTMM).…

Objective: Bland and Altman plot method is a widely cited and applied graphical approach for assessing the equivalence of quantitative measurement techniques, usually aiming to replace a traditional technique with a new, less invasive, or…

Accurate modeling of electronic properties of nanostructures is a challenging theoretical problem. Methods making use of continuous media approximation, such as k.p, sometimes struggle to reproduce results obtained with more accurate…

Nowadays pseudopotential density-functional theory calculations constitute the standard approach to tackle solid-state electronic problems. These rely on distributed pseudopotential tables that were built from all-electron atomic…

Calculations of electronic and optical properties of solids at finite temperature including electron-phonon interactions and quantum zero-point renormalization have enjoyed considerable progress during the past few years. Among the emerging…

In this work an overall electronic structure including the position and formation energies of various intrinsic defects are computed for anatase using Density Functional Theory aided by Hubbard correction (DFT+U). The intrinsic point…

Uniform powder spreading is a requisite for creating consistent, high-quality components via powder bed additive manufacturing (AM), wherein layer density and uniformity are complex functions of powder characteristics, spreading kinematics,…

Metal-insulator transition materials such as NbO2 have generated much excitement in recent years for their potential applications in computing and sensing. NbO2 has generated considerable debate over the nature of the phase transition, and…

We explore the oxidation of a single layer of black phosphorous using ab initio density functional theory calculation. We search for the equilibrium structures of phosphorene oxides, PO$_x$ with various oxygen concentrations $x$…

Swift and accurate alignment of transmitter (Tx) and receiver (Rx) beams is a fundamental design challenge to enable reliable outdoor millimeter-wave communications. In this paper, we propose a new Optimized Two-Stage Search (OTSS)…

The lateral resolution of an X-ray photoelectron spectroscopy instrument, which is equipped with a focused X-ray beam, is limited by the nominal X-ray beam diameter and the long tail intensity distri-bution of the X-ray beam. The long tail…

Using density-functional theory calculations within the generalized gradient corrected approximation, the models that nonmetallic impurities X substituted for O or Ti sites in anatase TiO2 were investigated. The conclusion of the valence…

Silicon spintronics requires injection of spin-polarized carriers into Si. An emerging approach is direct electrical injection from a ferromagnetic semiconductor - EuO being the prime choice. Functionality of the EuO/Si spin contact is…

Ti2O3 exhibits a unique metal-insulator transition (MIT) at approximately 450 K over a wide temperature range of ~ 150 K. This broad MIT accompanied by lattice deformation differs from the sharp MITs observed in most other transition-metal…

Intentional breaking of the lattice symmetry in solids is a key concept to alter the properties of materials by modifying their electronic band structure. However, the correlation of strain-induced effects and breaking of the lattice…