DFT + <i>μ</i>: Density functional theory for muon site determination

نویسندگان

چکیده

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

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ژورنال

عنوان ژورنال: Applied physics reviews

سال: 2023

ISSN: ['1931-9401']

DOI: https://doi.org/10.1063/5.0149080