Study on Web Hub System of Nano-Eledronic Device Modeling

纳米电子器件建模Web Hub系统研究

• 批准号: 13650378
• 负责人: OGAWA Matsuto
• 金额: $ 2.05万
• 依托单位: Kobe University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (C)
• 财政年份: 2001
• 资助国家: 日本
• 起止时间: 2001 至 2002
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-13650378/
• 关键词: Non-Equilibrium Green's Function; Tight-Binding Approximation; Nano-Scale MOSFET; Ab-Initio Density Functional Calculation; Quantum Transport Analysis; Device Modeling; Web Hub; 強束縛近似ハミルトニアン; 遺伝的アルゴリズム; ナノデバイス; 量子輸送モデリング; 量子輸送デバイスモデリング

The following results have been successfully achieved during allotted period of this project research.1. Development of Semiconductor Band Structure Calculation Programs Based on Tight-Binding ApproximationAutomatic Hamiltonian generation of arbitrary III-V compound semiconductor has been achieved. We have developed a new code to extract tight-binding (TB) parameters of arbitrary crystals such as a diamond, zinc-blende, cubic, or hexagonal crystallographic structures. This code utilizes a genetic algorithm (GA) which enables us to extract tight-binding parameters from results of ab-initio density functional (DFT) band calculation without falling into local minima. As a result, we have extracted various kinds of TB parameters from which we can readily calculate band structures as well as optical properties of compound semiconductors.2. Quantum Transport Modeling in Nano-scale MOSFETsWe have made use of the non-equilibrium Green's function method to analyze quantum transport phenomena in nano-scale devices, specifically deca-nm size MOSFETs. In the simulation, we have used the material parameters of the crystal we extracted by the GA technique. As a result, it is found that the surface quantization occurs at the Si-SiO2 interface and the electron waves transport from size-quantized modes in one electrode to the surface quatized mode and then to the size-quantized mode in the other electrode. It is demonstrated that the present modeling tool is powerful in the analysis of nano-scale devices where quantum effects play important roles.

在本项目研究的指定时间内，取得了以下成果：基于紧密结合近似的半导体带结构计算程序的开发实现了任意III-V型化合物半导体的哈密顿量自动生成。我们开发了一种新的代码来提取任意晶体的紧密结合（TB）参数，如金刚石、锌闪锌矿、立方或六方晶体结构。该代码利用遗传算法（GA），使我们能够从ab-initio密度泛函（DFT）带计算结果中提取紧密结合参数，而不会陷入局部最小值。因此，我们提取了各种TB参数，从中我们可以很容易地计算出化合物半导体的能带结构和光学性质。我们利用非平衡格林函数方法分析了纳米器件，特别是十纳米尺寸mosfet中的量子输运现象。在模拟中，我们使用了遗传算法提取的晶体材料参数。结果发现，在Si-SiO2界面处发生了表面量子化，并且电子波从一个电极的尺寸量子化模式传递到另一个电极的尺寸量子化模式。结果表明，在量子效应起重要作用的纳米器件的分析中，本模型具有强大的功能。

项目成果

T.Ishigaki: "Analysis of Subband Structures and Optical Properties of Periodic Strained Quantum Wires by a Finite Element Method"Journal of Appl. Phys.. 91,No.1. 5815-5819 (2002)

T.Ishigaki：“通过有限元方法分析周期性应变量子线的子带结构和光学性质”应用杂志。

M.Ogawa: "Tight Binding Simulation of Quantum Transport in Interband Tunneling Devices"VLSI DESIGN. Vol.13 1. 69-74 (2001)

M.Okawa：“带间隧道器件中量子传输的紧束缚模拟”VLSI 设计。

T.Ishigaki: "Analysis of Subband Structures and Optical Properties of Periodic Strained Quantum Wires by a Finite Element Method"J.Appl.Phys.. 91. 5815-5819 (2003)

T.Ishigaki：“通过有限元方法分析周期性应变量子线的子带结构和光学性质”J.Appl.Phys.. 91. 5815-5819 (2003)

M.Ogawa, H.Tsuchiya, and T.Miyoshi: "Quantum Transport Modeling in Nano-Scaled Devices"Proc.Int.Conf.Simulation of Semiconductor Processes and Devices (SISPAD 2002). 261-266 (2002)

M.Okawa、H.Tsuchiya 和 T.Miyoshi：“纳米级器件中的量子传输建模”Proc.Int.Conf.Simulation of Semiconductor Processes and Devices (SISPAD 2002)。

M.Ogawa: "Multiband Quantum Transport with Self-Consistent Scattering Calcualtion Based on Green's Function Method"Inst. of Phys. Conf. Ser. Compound Semiconductors 2001. 170. 151-156 (2002)

M.Okawa：“基于格林函数法的自洽散射计算多频带量子传输”Inst.