标题： 磁相互作用与团簇形成：增强拓扑绝缘体表面热电势 显示英文标题

标题： Magnetic Interactions and Cluster Formation: Boosting Surface Thermopower in Topological Insulators

摘要： 本研究从理论上探讨了磁性拓扑绝缘体（TIs）的热电性能，重点研究了磁性原子交换相互作用对其表面热电势的影响。 我们的研究结果表明，磁性原子之间的相互作用显著增强了塞贝克系数。 通过交换相互作用形成的磁性团簇增加了狄拉克电子的散射，从而提高了热电功率因数。 我们进行了广泛的蒙特卡洛模拟，涵盖了各种配置，包括铁磁性和反铁磁性体材料，并比较了伊辛模型和海森堡模型中的磁性团簇。 特别关注与表面临界温度相关的团簇定义。 我们的分析表明，磁性团簇的大小和数量会影响弛豫时间以及电和热电阻率，最终影响热电势。 优化的层间和层内相互作用可以将TIs的表面热电势提高到与反铁磁性${\rm MnTe}$相当的水平，后者以其独特的基于自旋的热电性能而闻名。 这项工作突显了磁性TIs在热电应用中的潜力，并为未来的研究奠定了基础。 显示英文摘要

摘要： This study theoretically investigates the thermoelectric properties of magnetic topological insulators (TIs), with a focus on the effects of magnetic atom exchange interactions on the thermopower of their surfaces. Our findings demonstrate that interactions among magnetic atoms significantly enhance the Seebeck coefficient. The formation of magnetic clusters through exchange interactions increases the scattering of Dirac electrons, thereby improving the thermoelectric power factor. We conducted extensive Monte Carlo simulations across various configurations, including ferromagnetic and antiferromagnetic bulk materials, comparing magnetic clustering in Ising and Heisenberg models. Special attention was given to cluster definitions related to surface critical temperatures. Our analysis indicates that the size and number of magnetic clusters influence relaxation times, as well as electrical and thermal resistivities, ultimately affecting the thermopower. Optimized interlayer and intralayer interactions can elevate the surface thermopower of TIs to values comparable to those observed in antiferromagnetic ${\rm MnTe}$, renowned for its unique spin-based thermoelectric properties. This work highlights the potential of magnetic TIs for thermoelectric applications and sets the stage for future research.