Importance of anisotropic Coulomb interactions and exchange to the band gap and antiferromagnetism of ß -MnO 2 from DFT+ U (2012)
Attributed to:
Modelling of Advanced Functional Materials using Terascale Computing
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1103/physrevb.86.205126
Publication URI: http://dx.doi.org/10.1103/physrevb.86.205126
Type: Journal Article/Review
Parent Publication: Physical Review B
Issue: 20