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Berry-Phase Effect in Single-Molecule Magnets: Analytical and Numerical Results
Physica Status Solidi (B) - Basic Solid State Physics ( IF 1.6 ) Pub Date : 2022-08-31 , DOI: 10.1002/pssb.202200241
Francisco Javier Anaya-García 1 , Daniel Ignacio Salgado-Blanco 2 , Gabriel González 1, 3
Affiliation  

Herein, transport signatures of quantum interference on the current through a single-molecule magnet transistor tunnel coupled to oppositely polarized leads in the presence of a local transverse and longitudinal magnetic field are theoretically and numerically investigated. These calculations are based on a density matrix approach where the ground-state energy splitting induced by tunneling of the spin between different paths is treated with the aid of perturbation theory. Using this approach, it is shown that it is possible to use an effective Hamiltonian, which describes the Berry-phase interference as a function of the transverse magnetic field, which completely blocks the current flow when the single-molecule magnet is placed between oppositely polarized leads. Finally, this effective Hamiltonian is used in an open-source Python software (QmeQ) that allows us to calculate the current through the single-molecule magnet with oppositely polarized leads tunnel coupled to the single-molecule magnet. The analytical results are well reproduced by numerical simulations.

中文翻译:

单分子磁体中的浆果相效应:分析和数值结果

在此,在存在局部横向和纵向磁场的情况下,通过耦合到相反极化引线的单分子磁体晶体管隧道对电流的量子干涉传输特征进行了理论和数值研究。这些计算基于密度矩阵方法,其中借助微扰理论处理由不同路径之间的自旋隧穿引起的基态能量分裂。使用这种方法,表明可以使用有效的哈密顿量,该哈密顿量将 Berry 相干扰描述为横向磁场的函数,当单分子磁体放置在相反极化之间时,它会完全阻止电流流动导致。最后,这种有效的哈密顿量用于开源 Python 软件 (QmeQ),该软件使我们能够计算通过单分子磁体的电流,其中相反极化的引线隧道耦合到单分子磁体。数值模拟很好地再现了分析结果。
更新日期:2022-08-31
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