Modeling and simulation of electronic structure, material interface and random doping in nano electronic devices.
Modeling and simulation of electronic structure, material interface and random doping in nano electronic devices.
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DOI：
10.1016/j.jcp.2010.02.002
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发表时间：
2010-06-20
影响因子：
4.1
通讯作者：
Wei, Guo-Wei
中科院分区：
文献类型：
--
作者：
Chen, Duan;Wei, Guo-Wei
关键词：
金属氧化物半导体场效应晶体管（MOSFET）等纳米级电子器件的小型化，对处理集成电路中量子力学效应的新理论理解和实践策略产生了迫切的需求。这类问题的建模和仿真已成为应用和计算数学中的一个重要课题。这项工作提出了用于模拟纳米级 MOSFET 的数学模型和计算算法。我们引入了统一的二尺度能量泛函来描述纳米电子器件的电子和连续静电势。这个框架使我们能够在纳米尺度上平等地对待微观和宏观描述。通过能量泛函的优化，我们推导出一致耦合的 Poisson-Kohn-Sham 方程。此外，层状结构对于纳米晶体管的静电和传输特性至关重要。提出了材料界面模型，以便更准确地描述泊松方程控制的静电。最后，提出了一种利用狄拉克δ函数的新的单独掺杂剂模型来理解纳米电子器件中的随机掺杂效应。引入了两种数学算法，即匹配界面和边界（MIB）方法和狄利克雷到诺依曼映射（DNM）技术，以提高纳米器件模拟的计算效率。电子结构通过子带分解计算，输运特性（例如 I-V 曲线和电子密度）通过非平衡格林函数 (NEGF) 形式评估。我们的三维数值模拟考虑了两种不同的器件配置，即双栅极 MOSFET 和四栅极 MOSFET。对于这些器件，探讨了离散掺杂模型引起的电流波动和电压阈值降低效应。目前的工作还研究了数值收敛性和模型适定性。
The miniaturization of nano-scale electronic devices, such as metal oxide semiconductor field effect transistors (MOSFETs), has given rise to a pressing demand in the new theoretical understanding and practical tactic for dealing with quantum mechanical effects in integrated circuits. Modeling and simulation of this class of problems have emerged as an important topic in applied and computational mathematics. This work presents mathematical models and computational algorithms for the simulation of nano-scale MOSFETs. We introduce a unified two-scale energy functional to describe the electrons and the continuum electrostatic potential of the nano-electronic device. This framework enables us to put microscopic and macroscopic descriptions in an equal footing at nano scale. By optimization of the energy functional, we derive consistently-coupled Poisson-Kohn-Sham equations. Additionally, layered structures are crucial to the electrostatic and transport properties of nano transistors. A material interface model is proposed for more accurate description of the electrostatics governed by the Poisson equation. Finally, a new individual dopant model that utilizes the Dirac delta function is proposed to understand the random doping effect in nano electronic devices. Two mathematical algorithms, the matched interface and boundary (MIB) method and the Dirichlet-to-Neumann mapping (DNM) technique, are introduced to improve the computational efficiency of nano-device simulations. Electronic structures are computed via subband decomposition and the transport properties, such as the I-V curves and electron density, are evaluated via the non-equilibrium Green's functions (NEGF) formalism. Two distinct device configurations, a double-gate MOSFET and a four-gate MOSFET, are considered in our three-dimensional numerical simulations. For these devices, the current fluctuation and voltage threshold lowering effect induced by the discrete dopant model are explored. Numerical convergence and model well-posedness are also investigated in the present work.
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影响因子：
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通讯作者：
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