标题： 应变和直径对砷化铟纳米线电子和电荷输运特性的影响 显示英文标题

标题： Effect of strain and diameter on electronic and charge transport properties of indium arsenide nanowires

摘要： 单轴压缩和拉伸应变以及直径对砷化铟（InAs）纳米线（NWs）电子能带结构的影响通过第一性原理计算进行了研究。 从松弛和应变纳米线的电子结构中提取了有效质量和带隙。 材料特性被提取并用于确定在有效质量近似下并通过应用非平衡格林函数方法描述的纳米线中的电荷传输。 传输计算自洽地求解具有开放边界条件的薛定谔方程和静电学的泊松方程。 器件结构对应于一种金属氧化物半导体场效应晶体管（MOSFET），其中 InAs NW 通道采用全环绕栅极结构。 通道横截面适用于高度缩放的器件，范围在 3x3 nm2 到 1x1 nm2 之间。 通过量化亚阈值摆幅和 ON/OFF 电流比，评估了不同纳米线取向和直径对能带结构和电气性能的应变影响。 我们的结果表明，对于关键尺寸为几个纳米的 InAs NW 晶体管，晶体学取向和量子限制效应主导器件行为，但必须包含应变效应以提供晶体管性能的准确预测。 显示英文摘要

摘要： The impact of uni-axial compressive and tensile strain and diameter on the electronic band structure of indium arsenide (InAs) nanowires (NWs) is investigated using first principles calculations. Effective masses and band gaps are extracted from the electronic structure for relaxed and strained nanowires. Material properties are extracted and applied to determine charge transport through the NWs described within the effective mass approximation and by applying the non-equilibrium Green's function method. The transport calculations self-consistently solve the Schrodinger equation with open boundary conditions and Poisson's equation for the electrostatics. The device structure corresponds to a metal oxide semiconductor field effect transistor (MOSFET) with an InAs NW channel in a gate-all-around geometry. The channel cross sections are for highly scaled devices within a range of 3x3 nm2 to 1x1 nm2. Strain effects on the band structures and electrical performance are evaluated for different NW orientations and diameters by quantifying subthreshold swing and ON/OFF current ratio. Our results reveal for InAs NW transistors with critical dimensions of a few nanometer, the crystallographic orientation and quantum confinement effects dominate device behavior, nonetheless strain effects must be included to provide accurate predictions of transistor performance.