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

DOI10.1002/ANDP.200810310MaRDI QIDQ3546237zbMATH OpenOpenAlexFDO

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

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)

Recommendations

• Modeling and simulations of interface properties with first-principles electronic structure computations
• THEORETICAL INVESTIGATION OF 3d NANOSTRUCTURES ON Cu SURFACES: THE INFLUENCE OF LOCAL ENVIRONMENT
• Numerical methods for electronic structure calculations of materials
• THE EFFECT OF METAL-MOLECULE NANO-CONTACTS WITH DIFFERENT END GROUPS IN MOLECULAR ELECTRONICS
• Density functional theory calculations using the finite element method

Cites work

• The augmented spherical wave method. A comprehensive treatment

Cited in

(3)

• 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
• Meso-scale fusion: A method for molecular electronic state calculation in inhomogeneous materials

This page was built for publication: Electronic structure calculations for inhomogeneous systems: Interfaces, surfaces, and nanocontacts

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q3546237)