Electronic correlation effects in reduced rutile TiO 2 within the LDA+U method

By Seong-Geon Park, B. Magyari-Köpe, Y. Nishi. 2010

181 citations recorded by the source corpus.

Subfields: Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/def3b2181f7dca7930ad8e3959682379adf68659

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Materials Chemistry

1. Marco Buongiorno Nardelli
2. Stefano Curtarolo
3. Luis A. Agapito
4. Natalio Mingo
5. Daniel B. Miracle
6. Shidong Wang
7. Cormac Toher

Citations in the corpus

• Reformulation of DFT + U as a pseudohybrid hubbard density functional for accelerated materials discovery (2015, background): “[63] have found that large values of the Ti on-site Coulomb interaction (> 7) introduces unphysical defect”