English

DFT+{\mu}: Density Functional Theory for Muon Site Determination

Materials Science 2023-07-20 v1 Strongly Correlated Electrons Superconductivity

Abstract

The technique of muon spin rotation ({\mu}SR) has emerged in the last few decades as one of the most powerful methods of obtaining local magnetic information. To make the technique fully quantitative, it is necessary to have an accurate estimate of where inside the crystal structure the muon implants. This can be provided by density functional theory calculations using an approach that is termed DFT+{\mu}, density functional theory with the implanted muon included. This article reviews this approach, describes some recent successes in particular {\mu}SR experiments, and suggests some avenues for future exploration.

Keywords

Cite

@article{arxiv.2307.10076,
  title  = {DFT+{\mu}: Density Functional Theory for Muon Site Determination},
  author = {S. J. Blundell and T. Lancaster},
  journal= {arXiv preprint arXiv:2307.10076},
  year   = {2023}
}

Comments

16 pages, 11 figures

R2 v1 2026-06-28T11:34:47.949Z