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Theoretical Investigation of Topological Magnetic Textures in Sliding Ferroelectric CrX3 (X = Cl, Br, I) Moiré Superlattices: A Multiferroic Material with Unique Magnetoelectric Coupling for Information Storage Applications
ACS Applied Nano Materials ( IF 5.3 ) Pub Date : 2023-09-12 , DOI: 10.1021/acsanm.3c03153 Wei Sun 1 , Wenxuan Wang 2 , Riming Hu 3 , Changhong Yang 1 , Ling Li 4 , Shifeng Huang 1 , Xiaoning Li 5 , Zhenxiang Cheng 5
ACS Applied Nano Materials ( IF 5.3 ) Pub Date : 2023-09-12 , DOI: 10.1021/acsanm.3c03153 Wei Sun 1 , Wenxuan Wang 2 , Riming Hu 3 , Changhong Yang 1 , Ling Li 4 , Shifeng Huang 1 , Xiaoning Li 5 , Zhenxiang Cheng 5
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Two-dimensional (2D) van der Waals (vdW) materials offer unprecedented possibilities for manipulating electrical and magnetic properties through layer twisting or sliding. In this study, we investigate the stack engineering of two magnetic monolayers, CrX3 (X = Cl, Br, I), by combining first-principles calculations and atomic spin dynamics simulations. The interlayer sliding of CrX3 bilayers disrupts space inversion symmetry, resulting in the emergence of ferroelectric polarization characterized by a low energy potential barrier and polarization reversal. Notably, as the halogen atoms change from Cl to I, the interlayer exchange interaction gradually intensifies, leading to a significant enhancement in both magnetic stability and ferroelectric polarization. Moreover, when a moiré superlattice is formed through small-angle twisting, the electrostatic moiré potential and magnetic exchange interaction coupling through layer stacking lead to the formation of staggered polarization domains and four distinct types of topological magnetic states, which starkly contrast with the nontwisted bilayer configuration. This work provides a pioneering example of designing sliding ferroelectricity in 2D vdW magnetic bilayers, showcasing the potential of nanoscale layered multiferroic materials constructed by twisted stacking engineering for application in novel information memory devices.
中文翻译：
滑动铁电 CrX3 (X = Cl, Br, I) 莫尔超晶格中拓扑磁织构的理论研究：一种具有独特磁电耦合的多铁性材料，适用于信息存储应用
二维 (2D) 范德华 (vdW) 材料为通过层扭转或滑动来操纵电学和磁学特性提供了前所未有的可能性。在这项研究中，我们通过结合第一性原理计算和原子自旋动力学模拟，研究了两个磁性单层 CrX 3 (X = Cl, Br, I)的堆叠工程。CrX 3的层间滑移双层破坏了空间反转对称性，导致出现以低能势垒和极化反转为特征的铁电极化。值得注意的是，随着卤素原子从 Cl 变为 I，层间交换相互作用逐渐增强，导致磁稳定性和铁电极化显着增强。此外，当通过小角度扭曲形成莫尔超晶格时，静电莫尔势和通过层堆叠耦合的磁交换相互作用导致形成交错的极化域和四种不同类型的拓扑磁态，这与非扭曲双层形成鲜明对比配置。这项工作提供了在二维 vdW 磁性双层中设计滑动铁电性的开创性示例，
更新日期：2023-09-12
中文翻译：
滑动铁电 CrX3 (X = Cl, Br, I) 莫尔超晶格中拓扑磁织构的理论研究：一种具有独特磁电耦合的多铁性材料，适用于信息存储应用
二维 (2D) 范德华 (vdW) 材料为通过层扭转或滑动来操纵电学和磁学特性提供了前所未有的可能性。在这项研究中，我们通过结合第一性原理计算和原子自旋动力学模拟，研究了两个磁性单层 CrX 3 (X = Cl, Br, I)的堆叠工程。CrX 3的层间滑移双层破坏了空间反转对称性，导致出现以低能势垒和极化反转为特征的铁电极化。值得注意的是，随着卤素原子从 Cl 变为 I，层间交换相互作用逐渐增强，导致磁稳定性和铁电极化显着增强。此外，当通过小角度扭曲形成莫尔超晶格时，静电莫尔势和通过层堆叠耦合的磁交换相互作用导致形成交错的极化域和四种不同类型的拓扑磁态，这与非扭曲双层形成鲜明对比配置。这项工作提供了在二维 vdW 磁性双层中设计滑动铁电性的开创性示例，
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