广义布洛赫条件下二维晶格的磁交换作用  

Magnetic exchange interaction in two-dimensional lattice under generalized Bloch condition

作　　者：赵红艳 蒋灵子 朱岩[1,2] 潘燕飞 樊济宇[1,2] 马春兰 Zhao Hong-Yan;Jiang Ling-Zi;Zhu Yan;Pan Yan-Fei;Fan Ji-Yu;Ma Chun-Lan(College of Science,Nanjing University of Aeronautics and Astronautics,Nanjing 210006,China;Key Laboratory of Aerospace Information Materials and Physics,Ministry of Industry and Information Technology,Nanjing University of Aeronautics and Astronautics,Nanjing 210006,China;Jiangsu Key Laboratory of Micro and Nano Heat Fluid Flow Technology and Energy Application,School of Physical Science and Technology,Suzhou University of Science and Technology,Suzhou 215009,China)

机构地区：[1]南京航空航天大学理学院物理系,南京210006 [2]南京航空航天大学,空天信息材料与物理工信部重点实验室,南京210006 [3]苏州科技大学物理科学与技术学院,江苏省微纳米热流技术与能源应用重点实验室,苏州215009

出　　处：《物理学报》2022年第1期243-253,共11页Acta Physica Sinica

摘　　要：二维磁性材料是近几年新兴的研究领域,该材料在开发自旋电子器件等领域具备良好的应用潜能.为了了解二维磁性材料的磁性质,明确体系内各近邻磁性原子间的磁相互作用非常重要.第一性原理为各近邻磁交换参数的计算奠定了基础.目前各近邻参数的第一性原理计算常用的是能量映射法,但这种方法存在一定的缺陷.本文通过广义布洛赫条件推导了3种常见二维磁性结构的海森伯作用与Dzyaloshinskii-Moriya(DM)相互作用的自旋螺旋色散关系,这3种结构为四方结构,元胞包含一个磁性原子的六角结构,元胞包含两个磁性原子的六角结构.为了将本文推导的自旋螺旋色散关系应用于实际,我们通过第一性原理计算了一些材料的海森伯和DM作用的交换参数,这些材料分别是MnB,VSe_(2),MnSTe,Cr_(2)I_(3)C_(l3).其中,MnSTe和Cr_(2)I_(3)C_(l3)都属于二维Janus材料,磁性原子层的上下层对称性破缺,整个体系存在DM相互作用.Two-dimensional magnetic material which has been rapidly developed in recent years,has potential applications in developing spintronic devices.In order to understand the magnetic properties of two-dimensional magnetic materials,it is necessary to comprehend the magnetic interaction which is estimated by the exchange parameters between the magnetic atoms.The calculation of the magnetic exchange parameters is based on the first-principle.The commonly used method of determining the values of exchange parameters is energy-mapping.However,this method has some disadvantages.In this paper,the spin-spiral dispersion relationship is derived under the Heisenberg interaction and the Dzyaloshinskii-Moriya(DM)interaction through the generalized Bloch condition of three common two-dimensional magnetic structures:a tetragonal structure,a hexagonal structure in which the cell contains one magnetic atom,a hexagonal structure in which the cell contains two magnetic atoms.The magnetic exchange parameters of some materials are calculated through the first principle.These materials are MnB,VSe_(2) MnSTe and Cr_(2)I_(3)C_(l3).Among them,the MnSTe and Cr_(2)I_(3)C_(l3) are two-dimensional Janus materials,which means that they have space-reversal symmetry broken,that is why there is DM interaction in the system.

关 键 词：二维磁性结构 磁相互作用 广义布洛赫条件 第一性原理 

分 类 号：TB34[一般工业技术—材料科学与工程] O469[理学—凝聚态物理]