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Fragility of the magnetic order in the prototypical altermagnetRuO2
Physical Review B ( IF 3.7 ) Pub Date : 2024-04-16 , DOI: 10.1103/physrevb.109.134424
Andriy Smolyanyuk , Igor I. Mazin , Laura Garcia-Gassull , Roser Valentí

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 (DFT) calculations, we show that the electronic properties of stoichiometric RuO2 are described in terms of a Hubbard U, within DFT+U, smaller 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.

中文翻译:

原型交流磁体 RuO2 中磁序的脆弱性

交变磁学是最近受到关注的一个话题,氧化钌2化合物是研究最多的交变磁候选化合物之一。然而,对现有文献的调查氧化钌2特性表明,对于这种材料的磁性还没有达成共识。通过执行密度泛函理论(DFT)计算,我们表明化学计量的电子特性氧化钌2用 Hubbard 来描述U, 之内密度泛函理论+U,小于具有磁性所需的值。我们进一步认为,Ru 空位实际上可以帮助磁性状态的形成氧化钌2。这反过来表明,实验样品中Ru空位数量的表征可能有助于解决不同实验结果之间的争议。
更新日期:2024-04-16
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