Investigation of gate current in nano-scale MOSFETs by Monte Carlo solution of quantum Boltzmann equation

This paper investigates gate current through ultra-thin gate oxide of nano-scale metal oxide semiconductor field effect transistors (MOSFETs), using two-dimensional (2D) full-band self-consistent ensemble Monte Carlo method based on solving quantum Boltzmann equation. Direct tunnelling, Fowler--Nordheim tunnelling and thermionic emission currents have been taken into account for the calculation of total gate current. The 2D effect on the gate current is investigated by including the details of the energy distribution for electron tunnelling through the barrier. In order to investigate the properties of nano scale MOSFETs, it is necessary to simulate gate tunnelling current in 2D including non-equilibrium transport.     

热辐射输运问题的高效蒙特卡罗模拟方法

惯性约束聚变研究中,热辐射光子在介质中的输运以及热辐射光子与介质的相互作用是重要研究课题,蒙特卡罗方法是该类问题的重要研究手段之一.隐式蒙特卡罗方法虽然能正确地模拟热辐射在介质中的输运过程,但当模拟重介质(材料的吸收系数大)问题时,该方法花费的计算时间将变得很长,导致模拟效率很低.本文以离散扩散蒙特卡罗方法为基础,开发了"离散扩散蒙特卡罗方法辐射输运模拟程序",可以较好地解决重介质区的计算效率问题,但是离散扩散蒙卡罗方法在模拟轻介质区时精度不够高.辐射输运问题中通常既有轻介质也有重介质,为了能同时解决蒙特卡罗方法模拟的效率和精度问题,本文研究了离散扩散蒙特卡罗方法与隐式蒙特卡罗方法相结合的模拟方法,并提出了新的扩散区与输运区界面处理方法,研制了混合蒙特卡罗方法的辐射输运模拟程序.典型辐射输运问题模拟显示:在模拟重介质问题时,该程序能大幅缩短模拟时间,且能取得与隐式蒙特卡罗方法一致的结果;在模拟轻重介质均存在的问题时,与隐式蒙特卡罗方法相比,混合蒙特卡罗方法的模拟精度与其相当且计算效率同样能够得到显著提升.     

A convergence proof for Bird's direct simulation Monte Carlo method for the Boltzmann equation

Bird's direct simulation Monte Carlo method for the Boltzmann equation is considered. The limit (as the number of particles tends to infinity) of the random empirical measures associated with the Bird algorithm is shown to be a deterministic measure-valued function satisfying an equation close (in a certain sense) to the Boltzmann equation. A Markov jump process is introduced, which is related to Bird's collision simulation procedure via a random time transformation. Convergence is established for the Markov process and the random time transformation. These results, together with some general properties concerning the convergence of random measures, make it possible to characterize the limiting behavior of the Bird algorithm.     

金刚石薄膜中二次电子输运的蒙特卡罗模拟

本文通过编写的二维MATLAB蒙特卡罗程序, 对倍增的二次电子在金刚石薄膜中的输运特性进行了初步模拟. 研究表明: 二次电子的迁移率对温度和外加电场的大小很敏感, 在杂质浓度比较低时(<10¹⁷/cm^-3)受杂质浓度的影响不大. 模拟得到的 二次电子的饱和速度为1.88×10⁷ cm/s, 无外加电场时的迁移率为3732 cm² /V.s. 同时, 通过对二次电子束团在金刚石薄膜中的整体输运特性的模拟, 证明了束团电荷密度在应用要求的范围内时, 空间电荷力的影响可以忽略不计.     

Effect of interface roughness on the carrier transport in germanium MOSFETs investigated by Monte Carlo method

Interface roughness strongly influences the performance of germanium metal--organic--semiconductor field effect transistors (MOSFETs). In this paper, a 2D full-band Monte Carlo simulator is used to study the impact of interface roughness scattering on electron and hole transport properties in long- and short- channel Ge MOSFETs inversion layers. The carrier effective mobility in the channel of Ge MOSFETs and the in non-equilibrium transport properties are investigated. Results show that both electron and hole mobility are strongly influenced by interface roughness scattering. The output curves for 50~nm channel-length double gate n and p Ge MOSFET show that the drive currents of n- and p-Ge MOSFETs have significant improvement compared with that of Si n- and p-MOSFETs with smooth interface between channel and gate dielectric. The $82\%$ and $96\%$ drive current enhancement are obtained for the n- and p-MOSFETs with the completely smooth interface. However, the enhancement decreases sharply with the increase of interface roughness. With the very rough interface, the drive currents of Ge MOSFETs are even less than that of Si MOSFETs. Moreover, the significant velocity overshoot also has been found in Ge MOSFETs.     

(3 1)-Dimensional Quantum Mechanics from Monte Carlo Hamiltonian: Harmonic Oscillator

In Lagrangian formulation, it is extremely difficult to compute the excited spectrum and wavefunctions ora quantum theory via Monte Carlo methods. Recently, we developed a Monte Carlo Hamiltonian method for investigating this hard problem and tested the algorithm in quantum-mechanical systems in 1 1 and 2t1 dimensions. In this paper we apply it to the study of thelow-energy quantum physics of the (3 1)-dimensional harmonic oscillator.``     

单光子计数型CCD的蒙特卡罗模拟

建立了适用于研究PI-LCX：1300型单光子计数型CCD量子效率及多像素事件的蒙特卡罗模拟模型,采用蒙特卡罗程序Geant4对0.5~30.0 keV能量区间的X射线在CCD芯片中的输运进行了模拟研究。研究了X射线在CCD芯片中的能量沉积谱,给出了CCD探测X射线的效率曲线,其结果与厂家提供的效率曲线一致。研究了Si片厚度对探测效率的影响,结果表明在有效探测范围内,Si片越厚探测效率越高,而对较高能量的X射线,此趋势不明显。研究了能量沉积分布在多个像素中的问题,结果表明周围像素中的能量沉积主要由中心像素的特征X射线及瑞利散射X射线所贡献,在5~30 keV之间X射线能量越高,能量沉积效率越低,多像素污染效果越弱。     

Fully parallel code for Monte Carlo simulation

We present a fully parallel version of Monte Carlo simulation of the Ising model using the Metropolis algorithm. In the 3-dimensional version the performance can be enhanced by a factor >20 in 16-bit word processors relative to other multispin codes. This factor could be further increased if implemented in 64-bit word computers.     

单光子计数型CCD的蒙特卡罗模拟

建立了适用于研究PI-LCX:1300型单光子计数型CCD量子效率及多像素事件的蒙特卡罗模拟模型,采用蒙特卡罗程序Geant4对0.5~30.0 keV能量区间的X射线在CCD芯片中的输运进行了模拟研究。研究了X射线在CCD芯片中的能量沉积谱,给出了CCD探测X射线的效率曲线,其结果与厂家提供的效率曲线一致。研究了Si片厚度对探测效率的影响,结果表明在有效探测范围内,Si片越厚探测效率越高,而对较高能量的X射线,此趋势不明显。研究了能量沉积分布在多个像素中的问题,结果表明周围像素中的能量沉积主要由中心像素的特征X射线及瑞利散射X射线所贡献,在5~30 keV之间X射线能量越高,能量沉积效率越低,多像素污染效果越弱。     

Mobility of large clusters on a semiconductor surface:Kinetic Monte Carlo simulation results

The mobility of clusters on a semiconductor surface for various values of cluster size is studied as a function of temperature by kinetic Monte Carlo method. The cluster resides on the surface of a square grid. Kinetic processes such as the diffusion of single particles on the surface, their attachment and detachment to/from clusters, diffusion of particles along cluster edges are considered. The clusters considered in this study consist of 150–6000 atoms per cluster on average.A statistical probability of motion to each direction is assigned to each particle where a particle with four nearest neighbors is assumed to be immobile. The mobility of a cluster is found from the root mean square displacement of the center of mass of the cluster as a function of time. It is found that the diffusion coefficient of clusters goes as D = A(T)Nαwhere N is the average number of particles in the cluster, A(T) is a temperature-dependent constant and α is a parameter with a value of about-0.64 α -0.75. The value of α is found to be independent of cluster sizes and temperature values(170–220 K)considered in this study. As the diffusion along the perimeter of the cluster becomes prohibitive, the exponent approaches a value of-0.5. The diffusion coefficient is found to change by one order of magnitude as a function of cluster size.     

Monte Carlo Hamiltonian: Linear Potentials

We further study the validity of the Monte Carlo Hamiltonian method. The advantage of the method,in comparison with the standard Monte Carlo Lagrangian approach, is its capability to study the excited states. Weconsider two quantum mechanical models: a symmetric one V(x) = |x|/2; and an asymmetric one V(x) = ∞, forx ＜ 0 and V(x) = x, for x ≥ 0. The results for the spectrum, wave functions and thermodynamical observables are inagreement with the analytical or Runge-Kutta calculations.     

Quantum Monte Carlo Study of Frustrated Spin Chain under External Field

In this paper a stochastic series expansion quantum Monte Carlo algorithm is used to study a frustrated spin chain with diagonal next-nearest-neighbor interactions. The detailed balance conditions are carefully analyzed to improve the efficiency of simulation process. As an application of this algothrim, the total magnetization, the static structure factor and spin-stiffness are calculated for a certain set of system parameters as a function of external field strength.     

球形黑腔辐射输运问题的蒙特卡罗模拟

利用蒙特卡罗方法模拟六孔球形黑腔中的辐射输运, 研究靶球辐照均匀性问题. 对于几何结构简单的解析模型, 研究了不同黑腔靶球半径比的靶球辐照均匀性变化规律, 得出的结论与解析的“视因子”方法给出的一致. 对于几何结构复杂的黑腔模型, 如放置有挡板的模型, 解析方法计算困难, 但利用蒙特卡罗方法仍然能够准确模拟计算. 不同挡板大小的理论模型计算结果表明, 挡板对X光输运到靶球表面的分布状况有明显的影响, 如果设置得当则可以提高X光利用效率并显著改善靶球辐照均匀性, 否则可能严重破坏靶球辐照均匀性. 因此, 黑腔中的挡板位置及大小需要精心设计. 应用表明, 蒙特卡罗方法对于具有复杂结构的黑腔辐射输运问题具有很好的适应性.     

高能伽玛相机探测量子效率的蒙特卡罗模拟

探测量子效率（DQE）可被用来精确描述图像噪声通过成像系统的传播特性。根据级联理论,简洁得出了零频噪声传播情况下成像系统的DQE 表达式。采用蒙特卡罗程序MCNP 计算了高能X射线的硬化能谱在六种常用闪烁晶体中的能量沉积分布以及高能伽玛相机的DQE,分析了闪烁晶体的材料和厚度对DQE的影响。模拟结果表明,高密度、高原子序数是影响DQE的主要因素,在同样厚度下,LuAP和LSO转换屏的探测量子效率最高。     

纤锌矿相GaN空穴输运特性的Monte Carlo模拟研究

用全带多粒子Monte Carlo方法模拟纤锌矿相(Wurtzite)GaN空穴输运特性的结果. 用经验赝势法计算得到能带结构数据. 模拟包含了声学声子散射，光学声子散射，极性光学声子散射，压电散射，电离杂质散射及带间散射等散射机理. 计算得到了空穴沿3个主要对称方向上的空穴平均漂移速度和平均能量与电场强度的关系曲线，室温下漂移速度呈现饱和特性. 在所研究的电场范围内，最大平均漂移速度约为6×10⁶cm s^-1，最大空穴平均能量约为0.12eV, 这些值均比电子的相应参数低很多. 还给出了空穴的扩散迁移率与杂质浓度关系的模拟结果. 关键词： 蒙特卡罗 氮化镓 输运特性 能带结构     

Convective scheme solution of the Boltzmann transport equation for nanoscale semiconductor devices

A model for the simulation of the electron energy distribution in nanoscale metal–oxide–semiconductor field-effect transistor (MOSFET) devices, using a kinetic simulation technique, is implemented. The convective scheme (CS), a method of characteristics, is an accurate method of solving the Boltzmann transport equation, a nonlinear integrodifferential equation, for the distribution of electrons in a MOSFET device. The method is used to find probabilities for use in an iterative scheme which iterates to find collision rates in cells. The CS is also a novel approach to 2D semiconductor device simulation. The CS has been extended to handle boundary conditions in 2D as well as to calculation of polygon overlap for polygons of more than three sides. Electron energy distributions in the channel of a MOSFET are presented.     

Monte Carlo Hamiltonian:Inverse Potential

The Monte Carlo Hamiltonian method developed recently allows to investigate the ground state and low-lying excited states of a quantum system, using Monte Carlo (MC) algorithm with importance sampling. However, conventional MC algorithm has some difficulties when applied to inverse potentials. We propose to use effective potential and extrapolation method to solve the problem. We present examples from the hydrogen system.     

光子与相对论麦克斯韦分布电子散射截面的蒙特卡罗计算方法

高温全电离等离子体的辐射输运问题中,光子与电子的Compton散射与逆Compton散射是其中重要的特性,光子与相对论麦克斯韦电子散射的描述及截面的计算非常复杂且费时.本文提出了一种用于模拟计算光子与相对论麦克斯韦速度分布电子散射截面的蒙特卡罗计算方法.给出了各步骤的具体实现办法,推导了对应的计算公式,研究了相对论电子速率抽样方法,编写了光子与相对论电子散射的微观截面的蒙特卡罗计算程序.开展了高温全电离等离子体中,不同能量光子与不同温度电子散射的微观散射截面计算和分析.模拟计算结果显示,在电子温度低于25 keV情况下,本文方法与多重数值积分方法的计算结果非常接近;但随着电子温度继续升高,二者差异逐渐增大并较明显,经分析,可能是本文方法目前的电子速率抽样偏差所致,希望将来能够找到更好的相对论电子速率抽样方法以克服此缺陷.     

Quantum Monte Carlo Study of Frustrated Spin Chain Under External Field

In this paper a stochastic series expansion quantum Monte Carlo algorithm is used to study a frustrated spin chain with diagonal next-nearest-neighbor interactions. The detailed balance conditions are carefully analyzed to improve the efficiency of simulation process. As an application of this algothrim, the total magnetization, the static structure factor and spin-stiffness arecalculated for a certain set of system parameters as a function of external field strength.