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2018 | OriginalPaper | Chapter

8. Ab-Initio Calculations of TMO Band Structure

Author : A. Filippetti

Published in: Spectroscopy of Complex Oxide Interfaces

Publisher: Springer International Publishing

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Abstract

We review the fundamental aspects related to ab-initio band structure calculations for the \(\text {SrTiO}_3/\text {LaAlO}_3\) interface, analyzing capabilities and limits of the most advanced approaches, using available experiments as a reference. In particular, we discuss accuracy and failures for what concern the description of electronic, transport, and thermoelectric properties of oxide heterostructures. Despite evident shortcomings, our overview assesses the usefulness and the satisfying quality of ab-initio methods as an efficient approach for oxide heterostructure design and analysis.

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previous chapter Standing-Wave and Resonant Soft- and Hard-X-ray Photoelectron Spectroscopy of Oxide Interfaces

next chapter Dynamical Mean Field Theory for Oxide Heterostructures

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Title: Ab-Initio Calculations of TMO Band Structure
Author: A. Filippetti
Publisher: Springer International Publishing
Book: Spectroscopy of Complex Oxide Interfaces
Print ISBN: 978-3-319-74988-4

Electronic ISBN: 978-3-319-74989-1

Copyright Year: 2018
DOI: https://doi.org/10.1007/978-3-319-74989-1_8

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