Journal
EUROPHYSICS LETTERS
Volume 70, Issue 4, Pages 499-505Publisher
IOP Publishing Ltd
DOI: 10.1209/epl/i2004-10513-x
Keywords
-
Categories
Ask authors/readers for more resources
Theoretical investigations of the electronic, magnetic and structural properties of LaTiO3 and YTiO3 have been made. In the framework of GGA and GGA+U scheme we analyzed the effect of the local Coulomb interaction (U) value on the atomic forces acting in the experimental structure. The optimal parameters of the electron-electron on-site interactions as well as the orbital configurations and magnetic properties are determined.
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