论文标题
基于CR的范德华铁磁铁的电子结构和磁交换相互作用。 CRBR3和CR2GE2TE6之间的比较研究6
Electronic structure and magnetic exchange interactions of Cr-based van der Waals ferromagnets. A comparative study between CrBr3 and Cr2Ge2Te6
论文作者
论文摘要
低维磁性已被有力地作为众多应用的有前途的候选人。远程磁性阶的稳定性直接取决于电子结构和竞争磁交换常数的相对强度。在这里，我们报告了对二维铁磁铁CRBR3和CR2GE2TE6的电子结构和交换相互作用的比较依赖性理论和实验研究。尽管发现CRBR3是一种类似Mott-Hubbard的绝缘子，但CR2GE2TE6由于Fermi级别的TE 5P带的更广泛的特征而显示了电荷转移特性。这种不同的电子行为是CRBR3的可靠绝缘状态的原因，在该状态下，磁交换常数以压力单调地演化，并且与CR2GE2TE6预测的金属绝缘体转变接近，这会导致其磁性秩序温度的非单调演变。我们为两个系统的磁性特性的压力演化提供了微观理解。
Low dimensional magnetism has been powerfully boosted as a promising candidate for numerous applications. The stability of the long-range magnetic order is directly dependent on the electronic structure and the relative strength of the competing magnetic exchange constants. Here, we report a comparative pressure-dependent theoretical and experimental study of the electronic structure and exchange interactions of two-dimensional ferromagnets CrBr3 and Cr2Ge2Te6 . While CrBr3 is found to be a Mott-Hubbard-like insulator, Cr2Ge2Te6 shows a charge-transfer character due to the broader character of the Te 5p bands at the Fermi level. This different electronic behaviour is responsible of the robust insulating state of CrBr3 , in which the magnetic exchange constants evolve monotonically with pressure, and the proximity to a metal-insulator transition predicted for Cr2Ge2Te6 , which causes a non-monotonic evolution of its magnetic ordering temperature. We provide a microscopic understanding for the pressure evolution of the magnetic properties of the two systems.
