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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/10.48550/arxiv.2306.17148

Publication URI: https://arxiv.org/abs/2306.17148

Type: Other