Multiscale real-space quantum-mechanical tight-binding calculations of electronic structure in crystals with defects using perfectly matched layers

DOI10.1016/j.jcp.2016.07.024zbMath1415.81116OpenAlexW2486546779WikidataQ59924507 ScholiaQ59924507MaRDI QIDQ2424418

Kaushik Dayal, Hossein Pourmatin

Publication date: 24 June 2019

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jcp.2016.07.024

zbMATH Keywords

nonreflecting boundary conditionselectron scatteringcrystal defectswaves in periodic mediatight-binding

Mathematics Subject Classification ID

Statistical mechanics of crystals (82D25) Electromagnetic interaction; quantum electrodynamics (81V10) Applications to the sciences (65Z05)

Related Items (1)

Symmetry-adapted tight-binding electronic structure analysis of carbon nanotubes with defects, kinks, twist, and stretch

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