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Updated: Aug 21, 2026

Growth and Electrostatic/chemical Properties of Metal/LaAlO3/SrTiO3 Heterostructures
Published on: February 8, 2018
Nonlocal Coulomb interactions and metal-insulator transition in Ti2O3: a cluster LDA+DMFT approach
A I Poteryaev1, A I Lichtenstein, G Kotliar
1ESM, University of Nijmegen, NL-6525 ED Nijmegen, The Netherlands.
Abstract:
We present an ab initio quantum theory of the metal-insulator transition in Ti2O3. The recently developed cluster LDA+DMFT scheme is applied to describe the many-body features of this compound. The conventional single site DMFT cannot reproduce a low temperature insulating phase for any reasonable values of the Coulomb interaction. We show that the nonlocal Coulomb interactions and the strong chemical bonding within the Ti-Ti pair is the origin of the small gap insulating ground state of Ti2O3.
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