分子自旋电子学器件的Monte Carlo研究
Monte Carlo Study of a wide range of Molecular Spintronics Devices
摘要：
分子自旋电子学器件（MSD）是实现量子计算和革新计算机逻辑和存储器的非常有前途的候选者。先进的MSD将需要在两个铁磁（FM）电极之间放置磁性分子。最近的实验研究表明，一些磁性分子在两个FM电极之间产生了前所未有的强交换耦合，导致MSD中有趣的磁性和输运性质。MSD的未来发展将主要取决于对分子诱导的交换耦合及其对可切换性、功能温度范围和稳定性的影响的深入了解。然而，大尺寸的MSD系统和脆弱的设备制造方案继续限制由分子在MSD中产生的磁性属性的理论和实验研究。本文通过蒙特卡罗模拟（MCS）对MSD进行了理论研究。我们的MCS包括全系列的MSD，可以通过在磁性分子和FM电极之间建立不同类型的磁性相互作用来实现。我们的MSD由2D伊辛模型表示。我们研究了大范围的分子-FM电极耦合对MSD基本性质的影响。该宽范围涵盖（i）与两个FM电极具有铁磁耦合的分子，（ii）与两个FM电极具有反铁磁耦合的分子，以及（iii）与一个电极具有铁磁耦合并且与另一个FM电极具有反铁磁耦合的分子。我们的MCS将使利用各种分子和FM电极的各种新型MSD的基本理解和设计成为可能;这些研究也将有利于采用纳米团簇和量子点作为器件元件的基于纳米材料的自旋电子器件。
英文摘要：
Molecular spintronics devices (MSDs) are highly promising candidates for enabling quantum computation and revolutionizing computer logic and memory. An advanced MSD will require the placement of magnetic molecules between the two ferromagnetic (FM) electrodes. Recent experimental studies showed that some magnetic molecules produced unprecedented strong exchange couplings between the two FM electrodes leading to intriguing magnetic and transport properties in a MSD. Future development of MSDs will critically depend on obtaining an in-depth understanding of the molecule induced exchange coupling, and its impact on switchability, functional temperature range, and stability. However, the large size of MSD systems and fragile device fabrication scheme continue to limit the theoretical and experimental studies of magnetic attributes produced by molecules in a MSD. This paper theoretically studies the MSD by performing Monte Carlo simulations (MCS). Our MCS encompasses the full range of MSDs that can be realized by establishing different kinds of magnetic interaction between magnetic molecules and FM electrodes. Our MSDs are represented by a 2D Ising model. We studied the effect of a wide range of molecule-FM electrode couplings on the basic properties of MSDs. This wide range covered (i) molecule possessing ferromagnetic coupling with both FM electrodes, (ii) molecule possessing antiferromagnetic coupling with both FM electrodes, and (iii) molecule possessing ferromagnetic coupling with one electrode and antiferromagnetic coupling with another FM electrode. Our MCS will enable the fundamental understanding and designing of a wide range of novel MSDs utilizing a variety of molecules and FM electrodes; these studies will also benefits nanomaterials based spintronics devices employing nanoclusters and quantum dots as the device elements.
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