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It has been shown that the traditional matching of wavefunctions between regions of different effective mass (matching {psi} and (1/m*)partial{psi}/partialx) is not correct, but that one should match (1/surdm*){psi} and (1/surdm*)partial{psi}/partialx. It has not been clear how serious is the error in using the traditional formula. We apply the two sets of conditions to a simple, but rather general, example and find that the traditional matching is not even qualitatively correct.
We will discuss the key concepts in density functional theory (DFT), how it can be used to model experimental data, and consider how the synergy between DFT and experiment can give significant insights. The discussion will centre on the scanning tunn
A microscopic approach is developed to compute the excitonic properties and the corresponding terahertz response for semiconductors characterized by anisotropic effective masses. The approach is illustrated for the example of germanium where it is sh
The knowledge of effective masses is a key ingredient to analyze numerous properties of semiconductors, like carrier mobilities, (magneto-)transport properties, or band extrema characteristics yielding carrier densities and density of states. Current
We investigate the evolution of scalar metric perturbations across a sudden cosmological transition, allowing for an inhomogeneous surface stress at the transition leading to a discontinuity in the local expansion rate, such as might be expected in a
A degenerate perturbation $kcdot p$ approach for effective mass calculations is implemented in the all-electron density functional theory (DFT) package WIEN2k. The accuracy is tested on major group IVA, IIIA-VA, and IIB-VIA semiconductor materials. T