硼氮掺杂锯齿形石墨烯纳米带中自发磁性与热自旋输运的内置电场调制
Built-In Electric Field Modulation of Spontaneous Magnetism and Thermospin Transport in Boron-Nitrogen Doped Zigzag Graphene Nanoribbons
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中文总结 AI 辅助
该研究通过第一性原理计算，探究了硼氮掺杂锯齿形石墨烯纳米带的自发磁性与热自旋输运，利用内电场及外场可调控其磁态，室温下可生成纯热自旋电流，有望用于自旋热电子学原型器件。
中文摘要 AI 辅助
锯齿形石墨烯纳米带（ZGNRs）因自发磁性在两条锯齿边缘具有大磁矩，其基态为反铁磁耦合的自旋有序边缘态（AF态）。本文采用第一性原理计算，研究了沿轴向周期性掺杂硼和氮原子的ZGNRs的自发磁性与热电特性。该掺杂会诱导产生内电场，此电场可调制两条锯齿边缘的磁矩及带自旋分裂的能带结构。对于不同的掺杂构型，其基态可为AF态、铁磁耦合的自旋有序边缘态（FM态），或是AF态与FM态的简并对。外部横向静电场可进一步调制磁矩与能带结构。通过设计掺杂构型与外场，可在室温下生成无热电荷电流的纯热自旋电流，且该电流可通过翻转AF与FM态间的磁构型实现通断。因此，掺杂后的ZGNRs可作为自旋热电子学的原型器件。
英文摘要
Zigzag-edged graphene nanoribbons (ZGNRs) host large magnetic moments at two zigzag edges due to spontaneous magnetism, whose ground state is antiferromagnetically coupled spin-order edge state (AF state). In this paper, the spontaneous magnetism and thermoelectricity of ZGNRs with periodic substituted doping of boron and nitrogen atoms along the axial direction are investigated by first principle calculation. The doping induces an internal electric field, which modulates the magnetic moments at the two zigzag edges and the band structure with spin splitting. For varying doping configuration, the ground state could be AF state, ferromagnetically coupled spin-order edge state (FM state), or degenerated pair of AF and FM states. External transversal static electric field can further modulate the magnetic moments and the band structure. By designing the doping configuration and the external field, pure thermal spin current with the absence of thermal charge current can be generated at room temperature, which can be switched on and off by flipping the magnetic configuration between AF and FM states. Thus, the doped ZGNRs can be applied as prototype devices for spin-caloritronic.
发表机构
- School of Physics and Optoelectronic Engineering, Guangdong Polytechnic Normal University（广东技术师范大学物理与光电工程学院）
机构由 AI 辅助整理，请以论文原文为准。
