Rosas-Huerta José Luis, Wolber Jonas, Minaud Claire, Fabelo Oscar, Ritter Clemens, Mentré Olivier, Arévalo-López Ángel M
Unité de Catalyse et Chimie du Solide (UCCS) - Université de Lille - Centrale Lille, Université Artois, ENSCL, UMR CNRS 8181, Lille, F-59000, France.
Institut Laue-Langevin, BP 156, Grenoble, Cedex, 38042, France.
Adv Sci (Weinh). 2024 Nov;11(42):e2408266. doi: 10.1002/advs.202408266. Epub 2024 Sep 20.
Fe-based mica minerals usually display two opposing magnetic ground states, either they behave as spin-glasses or as layered ferrimagnets. No definite reason has been proposed as an explanation for this duality. This conundrum is unraveled by comparing the synthetic micas KFe[MGe]OX with M═Fe and Ga, X═OH and F. Neutron diffraction demonstrates a 2D to 3D magnetic transition in KFe[FeGe]O(OH) while just hints or no order at all are observed for the fluorides with M═Fe and Ga respectively. The 3D transition is triggered by the presence of iron in the intralayer tetrahedra. DFT+U calculations show that the magnetic exchange couplings between the previously believed solely magnetic octahedral layers would otherwise be frustrated without this intralayer iron.
铁基云母矿物通常呈现出两种相反的磁性基态,它们要么表现为自旋玻璃,要么表现为层状亚铁磁体。对于这种二元性,尚未提出明确的原因来解释。通过比较合成云母KFe[MGe]OX(其中M = Fe和Ga,X = OH和F)解开了这个谜团。中子衍射表明,KFe[FeGe]O(OH)中存在二维到三维的磁性转变,而对于分别含有M = Fe和Ga的氟化物,仅观察到微弱的有序或根本没有有序现象。三维转变是由层内四面体中铁的存在引发的。密度泛函理论+U计算表明,如果没有这种层内铁,先前认为仅由磁性八面体层之间的磁交换耦合将会受到阻碍。