Journal
PHYSICAL REVIEW LETTERS
Volume 93, Issue 8, Pages -Publisher
AMERICAN PHYSICAL SOC
DOI: 10.1103/PhysRevLett.93.086401
Keywords
-
Categories
Ask authors/readers for more resources
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.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available