Atomistic Simulation of Nanowire Transistors
Atomistic Simulation of Nanowire Transistors
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纳米线晶体管的原子模拟
DOI：
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发表时间：
2008
期刊：
影响因子：
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通讯作者：
A. Schenk
中科院分区：
文献类型：
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作者：
M. Luisier;A. Schenk
在纳米尺度上，电子输运的计算机模拟不能设想不包括量子力学效应以及模拟域的原子粒度。在这篇综述中，我们提出了一个三维量子输运模拟器的基础上sp3d5s半经验紧束缚（TB）方法，满足这两个要求。只有在引入开放边界条件（OBC）的情况下，才有可能将多频带TB模型集成到传输代码中。计算三维结构中的OBC的可用程序在计算上过于密集，因为它们采取广义特征值问题的形式或需要迭代求解器。因此，在这项工作中，一个改进的方法的基础上的散射边界的方法进行审查。它显著地减少了与OBC计算相关联的计算负担。此外，它可以用非平衡绿色函数或波函数形式来表示，它适用于任何通道取向、材料成分或横截面形状，并且它自洽地耦合到设备中静电势的三维计算。这些特征允许分析和比较具有沿[100]、[110]、[111]和[112]晶轴沿着输运的纳米线场效应晶体管（FET）。因此，它们的导通电流，亚阈值摆幅，和界面粗糙度的敏感性进行了研究。
At the nanometer scale, the computer simulation of electronic transport cannot be conceived without including quantum-mechanical effects as well as the atomic granularity of the simulation domain. In this review we present a three-dimensional quantum transport simulator based on the sp3d5s∗ semi-empirical tight-binding (TB) method that fulfills these two requirements. The integration of the multi-band TB model into a transport code is only possible, if open boundary conditions (OBCs) are introduced. The available procedures to calculate OBCs in three-dimensional structures are computationally too intensive, since they take the form of a generalized eigenvalue problem or require iterative solvers. Therefore, an improved method based on the scattering-boundary approach is reviewed in this work. It significantly reduces the computational burden associated with the OBCs calculation. Furthermore, it can be formulated either in the Non-Equilibrium Green’s Function or in the Wave Function formalism, it works for any channel orientation, material composition, or cross section shape, and it is self-consistently coupled to the three-dimensional computation of the electrostatic potential in the device. These features allow the analysis and the comparison of nanowire field-effect transistors (FETs) with transport along the [100], [110], [111], and [112] crystal axis. Hence, their ON-current, subthreshold swing, and interface roughness sensitivity are investigated.