UltraThin Oxides (UTOx) grown on metallic surfaces represent a class of materials of great interest in both basic research and technological applications. This essay summarizes the main methodological tools that can be used to investigate at the theoretical level the electronic structure of metal supported UTOx and the fundamental concepts needed to capture the basic phenomenology of these systems. A quick discussion of prototypical members of this class of materials concludes the essay.

Electronic Structure of Oxide Ultrathin Layers on Metal Surfaces

Barcaro Giovanni;Fortunelli Alessandro
2017

Abstract

UltraThin Oxides (UTOx) grown on metallic surfaces represent a class of materials of great interest in both basic research and technological applications. This essay summarizes the main methodological tools that can be used to investigate at the theoretical level the electronic structure of metal supported UTOx and the fundamental concepts needed to capture the basic phenomenology of these systems. A quick discussion of prototypical members of this class of materials concludes the essay.
2017
Istituto di Chimica dei Composti OrganoMetallici - ICCOM -
Istituto per i Processi Chimico-Fisici - IPCF
Inglese
Klaus Wandelt
Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, 2017
978-0-12-409547-2
http://www.sciencedirect.com/science/article/pii/B9780124095472128872
Elsevier
Amsterdam
PAESI BASSI
Sì, ma tipo non specificato
Band gap
Density functional theory (DFT)
Density of states
Hubbard Hamiltonian
Metallization
Polarity
Reducible oxide
Rumpling
Stoichiometry Structure
Surface dipole
Work function
2
02 Contributo in Volume::02.01 Contributo in volume (Capitolo o Saggio)
268
none
Barcaro, Giovanni; Fortunelli, Alessandro
info:eu-repo/semantics/bookPart
   High-frequency ELectro-Magnetic technologies for advanced processing of ceramic matrix composites and graphite expansion
   HELM
   FP7
   280464
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/327655
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