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arXiv 0812.1058cond-mat.mes-hall
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用密度泛函理论方法研究Mn $_{12}$单电子晶体管的超导谱

Theory of Tunneling Spectroscopy in a Mn$_{12}$ Single-Electron Transistor by Density-Functional Theory Methods

L. Michalak, C. M. Canali, M. R. Pederson, M. Paulsson, V. G. Benza

摘要:

我们用自旋密度泛函理论研究了Mn $_{12}$分子磁体的隧穿输运。一种从Kohn-Sham轨道构造多体波函数的易处理方法允许确定用于输运计算的自旋相关矩阵元。在有限偏压下的隧穿电导的特征在于由代表自旋多重态之间的跃迁的峰,由磁各向异性的顺序上的能量分离。自旋多重态的能量分裂和它们的多体波函数的空间部分,描述了多余电荷的轨道自由度,强烈地影响电子输运,并且可以导致负微分电导。

英文摘要:

We consider tunneling transport through a Mn$_{12}$ molecular magnet using spin density functional theory. A tractable methodology for constructing many-body wavefunctions from Kohn-Sham orbitals allows for the determination of spin-dependent matrix elements for use in transport calculations. The tunneling conductance at finite bias is characterized by peaks representing transitions between spin multiplets, separated by an energy on the order of the magnetic anisotropy. The energy splitting of the spin multiplets and the spatial part of their many-body wave functions, describing the orbital degrees of freedom of the excess charge, strongly affect the electronic transport, and can lead to negative differential conductance.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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