TY  - INPR
A1  - Smolyanyuk, Andriy
A1  - Mazin, Igor I.
A1  - Garcia-Gassull, Laura
A1  - Valentí, Roser
T1  - RuO₂: a puzzle to be solved
T2  - arXiv
N2  - Altermagnetism is a topic that has lately been gaining attention and the RuO2 compound is among one of the most studied altermagnetic candidates. However, the survey of available literature on RuO2 properties suggests that there is no consensus about the magnetism of this material. By performing density functional theory calculations, we show that the electronic properties of stoichiometric RuO2 are described in terms of a smaller Hubbard U within DFT+U than the value required to have magnetism. We further argue that Ru vacancies can actually aid the formation of a magnetic state in RuO2. This in turn suggests that a characterization of the amount of Ru vacancies in experimental samples might help the resolution of the controversy between the different experimental results.
Y1  - 2023
UR  - http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/82421
UR  - https://nbn-resolving.org/urn:nbn:de:hebis:30:3-824211
UR  - https://arxiv.org/abs/2310.06909v1
IS  - 2310.06909 Version 1
PB  - arXiv
ER  -