Dear Yurko,
we have applied U on O2p states at the hole doped LaAlO3/SrTiO3 interface
to look for an insulating state (Phys. Rev B 74 035112 (2006). You can
find therein also citations of other work where a U on O2p was used.
Best regards,
Rossitza
Dear wien2k users,
I wonder if someone has used LDA+U in Wien2k with U added for s or p
orbitals? If yes, I would be grateful for any references and
suggestions.
Also, is it physically correct to apply LDA+U (SIC) method to s and p
orbitals, or it can be used with d or f only? How to define U and
obtain the reasonable values of U in this case?
I would appreciate any comment related to this matter.
regards,
Yurko
--
Yurko (aka Yuriy, Iurii, Jurij etc) Natanzon
PhD Student
Henryk Niewodniczan`ski Institute of Nuclear Physics
Polish Academy of Sciences
ul. Radzikowskiego 152,
31-342 Krako`w, Poland
Email: Yurii.Natanzon at ifj.edu.pl, yurko.natanzon at gmail.com
___
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
