| 摘要: | 近年來許多實驗和理論模型已經投入在新穎自旋元件的開發，而介面磁電效應是影響其電荷傳輸、自旋傳輸、以及磁傳輸特性的其中一個重要因素。在這個研究中，我們建立了“JunPy”程序,有效連結了第一原理計算方法、非平衡格林函數、以及緊束模型在多重調控的條件下，包含自旋軌道耦合、外加電壓、結構應力、外加磁場、柵極電壓、以及鐵電調控，來有效計算(1) 在由TMD nanoribbon所構成的奈米異質結構中之自旋傳輸特性，(2)在三層結構中由垂直電流所驅動的自旋移轉轉矩效應以及電壓調控磁性異相磁矩，以及(3)在鐵磁/重金屬雙層結構中由水平電流所驅動的自旋軌道磁矩。這個計劃不但極具挑戰性，同時也含括了跨學門的應用，包含電腦程式設計、理論公式推導、第一原理的計算方法、以及物理問題上的分析與討論。因此，我們相信這個新建立的計算程序可以有效幫助次世代多重調控且節能的自旋傳輸元件之設計。 ;Recently, many experimental techniques and theoretical models have been devoted to develope novel spintronics device, and the “interfacial magnetoelectric” effect is one of the vital issues to dominate the charge-, spin-, and magneto-transport properties in nmscale hetoerostructures. In this project, our self-developed “JunPy” package combines (1) first-principles calculation with noncollinear spin-orbit coupling, external bias, mechanical strain, magnetic field, gate voltage, and ferroelectric control with (2) non-equilibrium Green’s function (NEGF) method and generalized tight-binding model to provide both numerical simulation and analytical analysis for (a) multi-functional modulation spin transport in TMD nanoribbon based heterostructures, (b) out-of-plane current driven spin-transfer torque and voltage-controlled magnetic anisotropy torque in trilayer system, and (c) in-plane current driven spin-orbit torque in FM/HF bilayer system. We believe this multi-discipline and highly challenging work, involving computer programming, analytical derivation, and first-principles calculation, may provide promising simulation tools for next-generation, multifunctional and low-energy consumption spintronics devices. |
