Optimization strategies developed on NiO for Heisenberg exchange coupling calculations using projector augmented wave based first-principles DFT+U+J (2023)

First Author: MacEnulty L
Attributed to:  EPSRC-SFI: Emergent Magnetism and Spin Interactions in Metallo-Molecular Interfaces funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1103/physrevb.108.245137

Publication URI: http://dx.doi.org/10.1103/physrevb.108.245137

Type: Journal Article/Review

Parent Publication: Physical Review B

Issue: 24

ISSN: 2469-9950