Результаты исследований: Вклад в журнал › Статья › Рецензирование
Recently synthesized Ba 4 NbMn 3 O 12 belong to cluster magnets that are systems with tightly bound groups of magnetic ions, in this case Mn 3 trimers. Such magnetic clusters can often be described by molecular orbitals, however strong electron correlations may invalidate this description. To understand the electronic and magnetic state of Ba 4 NbMn 3 O 12 we carried out ab initio calculations and show that this system is better described not in molecular orbitals picture, but as a system with electrons localized on the Mn ions, with strong intracluster and weaker inter-cluster exchange. The calculated spin of the Mn 3 trimer is S = 2, in agreement with the experiment. The predicted magnetic structure of Ba 4 NbMn 3 O 12 is that of ferromagnetic layers of Mn 3 trimers, stacked antiferromagnetically.
Язык оригинала | Английский |
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Страницы (с-по) | 713-714 |
Число страниц | 2 |
Журнал | Письма в Журнал экспериментальной и теоретической физики |
Том | 108 |
Номер выпуска | 9-10 |
DOI | |
Состояние | Опубликовано - 2018 |
ID: 11474459