Hui Li, Siwen Cui, Yi Huang, Yongsheng Zhao, Pinwen Zhu, Shuailing Ma
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引用次数: 0
摘要
研究人员结合第一原理计算,研究了随温度变化的磁感应强度,从而揭示了二硼化锰(MnB2)层状结构的磁结构和磁相互作用。随着温度的升高,MnB2 表现出弱铁磁性、反铁磁性和顺磁性。其在 135.6 K 居里温度(TC)以下的弱铁磁特性源于自旋悬臂反铁磁磁性结构。在 330 K 奈尔温度(TN)时,随温度变化的磁感应强度出现奇异的扭结,这与反铁磁结构向顺磁结构的转变有关。第一原理计算表明,反铁磁排序显示出较低的能量,并建议其铁磁行为采用悬臂反铁磁排序。MnB2 的特殊磁性行为可能是由于蜂窝硼层插入到锰原子的主基体中。蜂窝硼层在两个锰层之间的交换中起到了关键作用。这项研究解决了 MnB2 磁性结构的长期难题,并提供了典型的层状磁性结构原型。
Investigating the exotic magnetic properties in manganese diboride, a borophene intercalation compound
The temperature-dependent magnetic susceptibility combined with first-principle calculations was conducted to unravel the magnetic structure and the magnetic interaction of the laminar structure of manganese diboride (MnB2). MnB2 showed weak ferromagnetic, antiferromagnetic, and paramagnetic behavior with increased temperature. Its weak ferromagnetic property below 135.6 K Curie temperature (TC) originated from the spin canting antiferromagnetic magnetic structure. The exotic kink of temperature-dependent magnetic susceptibility at 330 K Néel temperature (TN) correlated with the transition from antiferromagnetic to paramagnetic structure. First-principle calculation show that the antiferromagnetic ordering show lower energy, and suggest a canting anti-ferromagnetic ordering for its ferromagnetic behavior. The peculiar magnetic behavior of MnB2 may be due to the insertion of the honeycomb boron layers into the host matrix of manganese atoms. The honeycomb boron layers played a key role in the exchange between two manganese layers. This study resolved the longstanding puzzle of the magnetic structure of MnB2 and provided a typical laminar magnetic structure prototype.
期刊介绍:
Frontiers in Physics publishes rigorously peer-reviewed research across the entire field, from experimental, to computational and theoretical physics. This multidisciplinary open-access journal is at the forefront of disseminating and communicating scientific knowledge and impactful discoveries to researchers, academics, engineers and the public worldwide.