Spin wave dispersion based on the quasiparticle self-consistent $GW$ method: NiO, MnO and $\alpha$-MnAs

TL;DR

This paper uses the quasiparticle self-consistent $GW$ method to calculate spin wave dispersions in MnO, NiO, and $ ext{α}$-MnAs, showing improved agreement with experiments over traditional methods.

Contribution

The study applies the quasiparticle self-consistent $GW$ method to spin wave calculations, revealing better accuracy for MnO and NiO and predicting a stable ferromagnetic phase in $ ext{α}$-MnAs.

Findings

ext{qSGW} results align well with experimental data for MnO and NiO.

ext{qSGW} predicts a stable ferromagnetic phase in $ ext{α}$-MnAs.

LDA and LDA+U methods are less accurate for these materials.

Abstract

We present spin wave dispersions in MnO, NiO, and $\alpha$-MnAs based on the quasiparticle self-consistent $GW$ method (\qsgw), which determines an optimum quasiparticle picture. For MnO and NiO, \qsgw results are in rather good agreement with experiments, in contrast to the LDA and LDA+U description. For $\alpha$-MnAs, we find a collinear ferromagnetic ground state in \qsgw, while this phase is unstable in the LDA.