3C-SiC体特性的Monte Carlo模型

采用Monte Carlo方法模拟了3C-SiC材料中电子的静态输运特性．在细致分析材料的能带结构和主要散射机构，建立了适于统计模拟的物理模型的基础上，采用自洽的SPMC方法进行模拟，得出了电子迁移率随温度、电子平均漂移速度随电场的变化规律，及电子的能量和动量弛豫时间随温度和电场的变化规律．所得结果与实验符合较好． 关键词：     

钎锌矿相GaN电子高场输运特性的Monte Carlo 模拟研究

应用全带多粒子Monte Carlo模拟方法,研究了钎锌矿相GaN 材料电子的高场输运特性. 模拟中利用了基于第一性原理总能量赝势方法计算得到的纤锌矿GaN的能带结构数据. 用Cartier的方法,计算碰撞电离散射率. 计算得到了电子平均漂移速度和电子平均能量与电场的关系曲线. 电离系数的分析表明当电场强度大于1 MV/cm时,才会有明显的碰撞电离发生,量子产额的分析表明当电子的能量大于7 eV时,量子产额随能量增加迅速增大. 研究了在0—4 MV/cm电场强度范围内电子在各导带的分布,低场下电子全部位于 关键词： 碰撞电离 高场输运 能带结构 Monte Carlo模拟     

微波磁场和斜入射对介质表面次级电子倍增的影响

分别研究了微波磁场和斜入射微波电场对介质表面次级电子倍增的影响.利用particle-in-cell/Monte Carlo方法,获得了微波磁场和斜入射微波电场条件下电子数量、介质表面直流场、电子平均能量和介质表面吸收功率的时间变化图像.模拟结果表明,斜入射和微波磁场虽然会显著影响电子的平均能量,但对电子数量和介质表面吸收功率的影响并不大,因此不会对微波介质表面击穿产生太大作用.     

投影电子束光刻中电子穿透掩膜的Monte Carlo模拟

利用基于Mott散射截面和介电函数模型的Monte Carlo方法模拟了电子穿透掩膜的能量损失分布，其计算结果与实验结果符合很好. 由此进一步计算了角度限制投影电子束光刻(SCALPEL)掩膜的穿透率和衬度，结果表明：散射体的厚度对衬度的影响较大，衬度随散射体厚度的增加而增强，而支撑体对衬度的影响较小；增大限制孔的孔径角时，透射率相应增大，但衬度会降低；衬度随入射电子的能量增加而减小. 关键词： Monte Carlo模拟 电子束光刻 掩膜     

薄膜电致发光器件电子能量的空间分布

在对ZnS导带结构进行多项式拟合的基础上,利用解析方法,对ZnS型薄膜电致发光器件中的电子输运过程进行了Monte Carlo模拟.研究了夹层结构和分层优化结构薄膜电致发光器件发光层中电子能量的空间分布,得出了两种不同空间分布曲线,即夹层结构中的n形分布和分层优化结构中的U形分布,并分析了导致这种不同分布的原因是由于电子在发光层中输运过程的初始能量不同. 关键词： Monte Carlo模拟 电子能量 空间分布 分层优化结构     

近地雷暴电场与羊八井地面宇宙线关联的模拟研究

雷暴期间地面宇宙线强度变化的研究对理解大气电场加速宇宙线次级带电粒子的物理机理具有重要意义. 分析西藏羊八井ARGO实验中2012年大气电场的数据后发现, 近地雷暴电场的强度可达1000 V/cm甚至更高. 用Monte Carlo方法模拟研究了近地雷暴电场与羊八井地面宇宙线强度的关联. 当雷暴电场强度(取1500 V/cm)大于逃逸电场时, 宇宙线次级粒子中正、负电子的数目呈指数增长, 在大气深度约520 g/cm²处达到极大值, 与Gurevich等提出的相对论电子逃逸雪崩机理和Dwyer理论相符. 当雷暴电场强度小于逃逸电场时, 在所有负电场范围和大于600 V/cm的正电场范围, 总电子数目随电场强度的增大而增加; 当正电场小于400 V/cm时, 总电子数目均出现一定幅度的下降; 在电场为400–600 V/cm范围内, 总电子数目的变化与原初粒子的能量有关, 原初能量小于80 GeV时, 其次级粒子中总电子数目增加, 原初能量在80–120 GeV 范围内时, 总电子数目变化不明显, 原初能量大于120 GeV时, 总电子数目出现下降, 下降幅度约4%. 模拟结果可对羊八井ARGO实验的观测结果给予合理的解释.     

用Monte Carlo方法模拟闪锌矿相ZnS电子的输运特性

用Monte Carlo方法模拟闪锌矿相(zinc blende)ZnS电子的输运特性.实验采用的是非抛物线模型计算电子的能带结构,模拟包含了声学声子散射,极性光学声子散射,压电散射,电离杂质散射,能谷间散射以及自散射等散射机理.通过模拟得到了ZnS材料的平均漂移速度、平均电子能量随电场强度变化的曲线图,以及总散射率随电子能量变化图,并将结果与文献报道的模拟结果[1]进行比较得出:本实验方法具有模型简单,计算速度快,获得结果比较准确的优点.     

双轴向列相液晶的Monte Carlo模拟

利用Monte Carlo方法模拟棒状液晶分子随温度变化的相变行为,采用热力学统计方法得到能量与温度的关系,得出比热随温度的变化规律,通过图像的峰值确定相变点;重点模拟计算序参数矩阵元与温度的关系,得到不同分子结构参数下液晶系统的温度相图,模拟结果显示,当两个短棒长度相等时,不存在双轴相.     

电子束光刻的邻近效应及其模拟

用Monte Carlo方法模拟和分析了电子束光刻中限制其分辨率的主要因素——邻近效应的影响.分析了入射电子束的形状、入射电子的能量、衬底材料和厚度对邻近效应大小的影响，并与实验结果进行了比较，发现模拟结果与实验结果符合得很好.分析表明高斯分布的电子束比理想电子束的邻近效应大；衬底原子序数越大，衬底越厚，入射电子束能量越低，邻近效应越大. 关键词： 电子束光刻 邻近效应 Monte Carlo     

~(60)Co和高能电子在硅中NIEL的Monte Carlo计算

本文提出了计算高能电子和 非电离能量损失 (NIEL)的 Monte Carlo方法 ,首次利用 Monte Carlo方法计算了高能电子和 6 0 Co 的 NIEL.给出了电子和 6 0 Co 在半导体硅材料中产生的 NIEL和缺陷分布 .计算结果与文献的比较表明模型是合理的 .     

The ordinary transport properties of the noble metals

The Fermi Surfaces in Cu, Ag and Au are now known to be greatly distorted, with thick ‘necks’ passing through the zone boundaries. In this paper we enquire whether such an electronic structure is quantitatively consistent with the observed transport coefficients. The mathematical model is quite simple; the shape of the Fermi surface is made to depend on a single parameter which can be interpreted as the pseudo-potential of the {111} atomic planes acting on an orthogonalized plane wave, giving rise to an energy gap of 5–10 ev at the zone boundaries. Various integrals over the Fermi surface can then be evaluated by elementary methods, and compared with the corresponding experimental quantities. The electronic specific heat and optical mass in the pure metals are consistent with the model. The galvanomagnetic effects are shown to depend a great deal on the anisotropy of the electron relaxation time, whose variation with energy is also probably the electron relaxation time, whose variation with energy is also probably the main determinant of the sign of the thermoelectric power. A better theory of electron-phonon interaction is needed before this, and the electrical and thermal conductivities, can be calculated accurately. Generally speaking there is no evidence which directly contradicts the rigid band model, except perhaps the effect of alloying on the optical absorption edges and on the electronic specific heat, but there are still many experimental and theoretical gaps in our knowledge.     

Tamm states and quantum dots in carbon and heteroatomic nanotubes

The electronic structure of C-BN nanotubes is discussed in the π approximation. Two types of such structures with (n,0)-tubulet topology are investigated: 1) semiinfinite C-BN and C nanotubes and 2) C-BN nanotubes, consisting of two semiinfinite BN nanotubes coupled by a ring-shaped carbon fragment C_mn. It is shown that, in the first case, energy levels (Tamm levels) whose wave functions are localized on the terminal fragment can exist under certain conditions. In the second case, bound states localized on atoms of the carbon fragment exist. It is established that if a quite extended, cylindrical, carbon cluster is present at the end of a semiinfinite BN nanotube, then such a system can be viewed as a very simple model of a quantum dot. C-BN nanotubes where the carbon fragment couples two semiinfinite BN nanotubes can also be interpreted similarly. A simple analytic method is proposed for finding the Tamm energy levels in heteroatomic nanotubes. Fiz. Tverd. Tela (St. Petersburg) 41, 1515–1519 (August 1999)     

适用于深亚微米NMOSFET ESD效应的非本地传输模型

分析了深亚微米NMOSFET在ESD应力下的非本地传输特性，分析说明了速度过冲效应可以增大漏端电流，改变器件特性. NMOSFET能量弛豫时间与器件中该点的电场、载流子速度和载流子能量密切相关，从而不能再近似为一个常数.利用蒙特卡罗仿真方法得到电子能量弛豫时间和电子高场迁移率与电子能量的关系表达式，并使用上述模型进行了ESD器件仿真，与实验结果的对比显示，使用该能量弛豫时间模型和高场迁移率模型可以得到准确的器件I-V曲线. 关键词： 静电放电 速度过冲 能量弛豫时间     

Fano resonance in electronic transport induced by the magnetic confinement in a graphene nanoribbon

Based on the Floquet scattering theory, a model of graphene-based electronic device is presented, in which electrical transport is controlled by adjusting Dirac fermions energy near resonance conditions. The presence of an oscillating field leads to the Fano resonance in transport through a magnetic structure in an armchair graphene nanoribbon (AGNR). The Fano resonance originates from bound states of the magnetic confinement, according to subband indices in the AGNR. The ballistic conductance is markedly affected by the Fano resonance due to the quasi-one-dimensional nature of AGNRs. The results may help realizing graphene electronics with the resonant characteristics in the conductance.     

Impedance as a characteristic of relaxation polarization

The electrical characteristics of a dielectric material that can be used to determine the parameters of relaxation polarization arising in a dielectric and the influence on these characteristics of the steady leakage electrical conductivity are discussed. For weak relaxation processes at high electrical conductivities, the imaginary part of impedance can be used as such a characteristic. Extrema in the impedance frequency dependence are observed at any conductivity. However, the frequency dependence of the imaginary part of impedance contains two maxima whose frequency positions depend not only on the relaxation time but on other characteristics of the dielectric as well. In addition, the temperature shifts of the extrema of these curves depend not only on the activation energy of the relaxation process but on the activation energy of the electrical conductivity as well.     

Thermodynamic properties of cubic boron nitride under high pressure from ab initio calculations

The equations of state (EOS) and other thermodynamic properties of cubic boron nitride (C-BN) have been studied by the first-principles method under high pressure. Under ambient conditions, our results are consistent with the available experimental data and those calculated by others. At the same time, the dependences of Young’s modulus and the shear modulus of C-BN on pressure P are successfully obtained. Moreover, the variation of the Poisson ratio, Debye temperature, specific heat, and thermal expansion coefficient with pressure P up to 200 GPa at 300 K have been investigated for the first time by means of a quasi-harmonic Debye model, in which phononic effects are considered.     

石墨烯纳米片电子结构和量子输运特性第一原理研究

用基于密度泛函理论的原子紧束缚方法计算研究单层石墨烯纳米圆片和纳米带的电子结构,并结合第一原理和非平衡函数法计算量子输运特性.通过电子能态和轨道密度分布研究纳米碳原子层的电子成键状态,结合电子透射谱、电导和电子势分布分析电子散射与输运机制.石墨烯纳米带和纳米圆片分别呈现金属和半导体的能带特征,片层边缘上电极化分别沿垂直和切向方向,电子电导出现较大的差异,来源于石墨烯纳米圆片边缘的突出碳原子环对电子的强散射.石墨烯纳米带的电子透射谱表现为近似台阶式变化并在费米能级处存在弹道电导峰,而石墨烯纳米圆片的电子能带和透射谱在费米能级处开口并且因量子限制作用呈现更加离散的多条高态密度窄能带和尖锐谱峰.     

电气线路互联系统线缆抗高空核电磁脉冲耦合效应

高空核电磁脉冲（HEMP）对电子设备的耦合途径主要有两方面:一方面是通过装备（产品）上的天线耦合通道进入到电子系统内的“前门耦合”方式；另一方面则是“后门耦合”，即通过装备（产品）上的壳体、电源线、电缆、机箱的缝隙、孔洞等途径进行耦合。主要研究电气线路互联系统(EWIS)线缆抗高空核电磁脉冲耦合效应，通过研究HEMP干扰的特征、能量分布，搭建HEMP数学模型，采用控制变量法，改变EWIS线缆类型、离地高度等要素，通过在CST上建立仿真模型以及开展试验，分析HEMP对电子设备造成的影响程度，得到HEMP耦合效应的一般性结论与规律。     

Continuum Model for Electronic Polarization Based on a Novel Dielectric Response Function

基于连续介质模型推导了一个普适的描述电介质介电弛豫过程的响应函数. 该介电响应函数依赖于电介质的介电谱. 基于该函数推导得到了以前特殊情况下用于描述溶剂弛豫的响应函数一致的表达式.结合三种典型极性溶剂,水、甲醇和乙腈的介电谱,研究了三种溶剂在外加电场线性变化时的电子极化过程. 结果表明,溶剂的电子极化伴随着电子跃迁同步发生,没有时滞.     

Effects of Screening and Finite Phonon Energy on the Transport in Quantized Layers in Compound Semiconductors

Analytical expressions for the momentum relaxation times of the conduction electrons in a non-degenerate two dimensional electron gas in the surface of a compound semiconductor have been obtained for interactions with the piezoelectric and deformation potential acoustic phonons taking due account of the screening of the perturbing potential under the the condition of low lattice temperature when the phonon energy cannot be neglected in comparison to the average thermal energy of the electrons and for that matter the equipartition approximation for the phonon distribution is hardly valid. The relaxation times calculated for inversion layers in GaAs and ZnO are found to depend upon the carrier energy, the lattice temperature and the impurity concentration in rather complex manners which are significantly different from what follows from the traditional approach of either neglecting the phonon energy or disregarding the process of screening. It is seen how the finite value of the phonon energy and the screening of the perturbing potential change the mobility characteristics significantly at the low lattice temperatures. The temperature dependence of the zero field mobility that one obtains using the relaxation times calculated here is quite different from the traditional laws.