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
978-0-12-409547-2
Band gap
Density functional theory (DFT)
Density of states
Hubbard Hamiltonian
Metallization
Polarity
Reducible oxide
Rumpling
Stoichiometry Structure
Surface dipole
Work function
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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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