CuCrP2S6磁性表征数据集

多铁性材料具有应用于新型磁电器件的潜力，例如高密度非易失性存储器件。在过去的几十年中，多铁性材料的研究主要集中在三维 (3D) 材料上。然而，3D 材料在纳米级薄膜中存在悬空键和量子隧道效应。二维 (2D) 材料可能会为这些问题提供优雅的解决方案，因此需求量很大。使用第一性原理计算，我们预测了单层甚至几层 CuCrP2S6 中的铁磁性和电场驱动铁电性。虽然单层的铁电相的总能量高于反铁电相，但可以通过施加大电场来实现铁电相。根据我们的计算，除了普通多铁材料的自由度外，谷自由度也是极化的。如计算结果所示，自旋、电偶极子和波谷相互耦合。在我们的实验中，我们在室温下观察了几层 CuCrP2S6（约 13 nm 厚）的面外铁电性。几层的二维铁磁性是从 10 K 时大规模堆叠的纳米片的磁滞回线推断出来的。实验观察结果很好地支持了我们的计算。我们的研究结果可能会为进一步的设备应用提供一系列二维材料。

Multiferroic materials hold great potential for applications in novel magnetoelectric devices, such as high-density non-volatile memory devices. Over the past decades, research on multiferroic materials has mainly focused on three-dimensional (3D) materials. However, 3D materials suffer from dangling bonds and quantum tunneling effects in nanoscale thin films. Two-dimensional (2D) materials may provide elegant solutions to these issues, thus are in high demand. Using first-principles calculations, we predicted ferromagnetism and electric-field-driven ferroelectricity in monolayer and even few-layer CuCrP2S6. Although the total energy of the ferroelectric phase in the monolayer is higher than that of the antiferroelectric phase, the ferroelectric phase can be achieved by applying a large electric field. According to our calculations, in addition to the degrees of freedom of ordinary multiferroic materials, the valley degree of freedom is also polarized. As demonstrated by our calculation results, spin, electric dipoles, and valley degrees of freedom are mutually coupled. In our experiments, we observed out-of-plane ferroelectricity in few-layer CuCrP2S6 (approximately 13 nm thick) at room temperature. The two-dimensional ferromagnetism of the few-layer samples was inferred from the magnetic hysteresis loops of large-scale stacked nanosheets measured at 10 K. Our experimental observations strongly support our theoretical calculations. Our findings may provide a promising library of two-dimensional materials for further device applications.

搜集汇总

背景与挑战

背景概述

该数据集包含CuCrP2S6的磁性表征数据，通过第一性原理计算和实验观察，预测并验证了其在单层和几层结构中的铁磁性和铁电性。数据集支持二维多铁性材料的研究，为新型磁电器件的开发提供了重要数据。