Electronic structure calculations for inhomogeneous systems: Interfaces, surfaces, and nanocontacts

DOI10.1002/ANDP.200810310zbMATH Open1155.82023OpenAlexW2112879438MaRDI QIDQ3546237FDOQ3546237

Authors: U. Schwingenschlögl, Cosima Schuster 

Publication date: 18 December 2008

Published in: Annalen der Physik (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1002/andp.200810310

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zbMATH Keywords

conductancedensity functional theorycharge transfer\(Li_xV_6O_{13}\) battery cathodeGe(001) surface relaxationintrinsic dopingLaAIO\(_3\)/SrTiO\(_3\) heterointerfacemolecular bridgemonoatomic Al contactself-assembled Pt nanowirethin film heterostructureYBa\(_2\)Cu\(_3\)O\(_7\)-metal contact

Mathematics Subject Classification ID

Statistical mechanics of solids (82D20) Statistical mechanics of superconductors (82D55)

Cites Work

• The augmented spherical wave method. A comprehensive treatment

Cited In (3)

• Meso-scale fusion: A method for molecular electronic state calculation in inhomogeneous materials
• The Electronic Structures of Nanosystems: Calculating the Ground States of Sodium Nanoclusters and the Actuation of Carbon Nanotubes
• Modeling and simulations of interface properties with first-principles electronic structure computations

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