Correlation Effects on Lattice Relaxation and Electronic Structure of ZnO within the GGA+U Formalism

By Xinguo Ma, Ying Wu, Yanhui Lv, Yongfa Zhu. 2013

194 citations recorded by the source corpus.

Subfields: Electrical and Electronic Engineering, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/aedbb1618ab5c9e71053596970664fc29f46bee0

How researchers see this paper

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

In Electrical and Electronic Engineering

1. Luis A. Agapito
2. Marco Buongiorno Nardelli
3. Stefano Curtarolo

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): “[113] (U3d = 10, U2p = 7 eV), both of which were found by fitting to reproduce the experimental bandgap and position of the 3d bands.”