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

(2023)

Authors:

SJ Blundell, T Lancaster

DFT+渭: Density Functional Theory for Muon Site Determination

(2023)

Authors:

Sj Blundell, T Lancaster

How to be a quantum mechanic

Contemporary Physics Taylor & Francis 64:3 (2023) 251-251

DFT plus 渭: Density functional theory for muon site determination

APPLIED PHYSICS REVIEWS AIP Publishing 10:2 (2023) 21316

Authors:

Sj Blundell, T Lancaster

Abstract:

The technique of muon spin rotation (渭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 as DFT + 渭, density functional theory with the implanted muon included. This article reviews this approach, describes some recent successes in particular 渭SR experiments, and suggests some avenues for future exploration.

Magnetostriction-Driven Muon Localization in an Antiferromagnetic Oxide

(2023)

Authors:

Pietro Bonf脿, Ifeanyi John Onuorah, Franz Lang, Iurii Timrov, Lorenzo Monacelli, Chennan Wang, Xiao Sun, Oleg Petracic, Giovanni Pizzi, Nicola Marzari, Stephen J Blundell, Roberto De Renzi