3D quantum transport solver based on the perfectly matched layer and spectral element methods for the simulation of semiconductor nanodevices

A 3D quantum transport solver based on the spectral element method (SEM) and perfectly matched layer (PML) is introduced to solve the 3D Schrödinger equation with a tensor effective mass. In this solver, the influence of the environment is replaced with the artificial PML open boundary extended beyond the contact regions of the device. These contact regions are treated as waveguides with known incident waves from waveguide mode solutions. As the transmitted wave function is treated as a total wave, there is no need to decompose it into waveguide modes, thus significantly simplifying the problem in comparison with conventional open boundary conditions. The spectral element method leads to an exponentially improving accuracy with the increase in the polynomial order and sampling points. The PML region can be designed such that less than −100 dB outgoing waves are reflected by this artificial material. The computational efficiency of the SEM solver is demonstrated by comparing the numerical and analytical results from waveguide and plane-wave examples and its utility is illustrated by multiple-terminal devices and semiconductor nanotube devices.     

卷积完全匹配层截断3维金属矩形波导的应用研究

 讨论了高功率微波源模拟中波导开放边界截断的需求,分析了不同类型完全匹配层(PML)的特点,选用卷积形式PML截断色散波导器件的开放边界。从自由空间电磁波的平面波解和分裂形式的PML出发,构造了未分裂形式的PML,用傅里叶变换的卷积定理,导出了直角坐标系下卷积完全匹配层(CPML)介质中电磁场的迭代形式的离散方程。在不同频率和模式激励源作用下,模拟计算了CPML截断矩形波导开放边界的性能,数值结果表明最大相对误差都小于-70 dB,远好于Mur吸收边界的截断效果。     

Fast Stimulation of Millimeter Wave Waveguide Filters by Boundary Marching Method

The boundary marching method is applied for the analysis of the waveguide bandpass filers. The vector finite element method with the perfectly matched layers (PML) as the matching load is given for parameter extraction of millimeter wave filters. The implementation of the fast boundary marching method is described in detail. The reflection and insertion losses of millimeter wave filters are obtained and compared with those obtained from literature.     

Near-field performance analysis of locally-conformal perfectly matched absorbers via Monte Carlo simulations

In the numerical solution of some boundary value problems by the finite element method (FEM), the unbounded domain must be truncated by an artificial absorbing boundary or layer to have a bounded computational domain. The perfectly matched layer (PML) approach is based on the truncation of the computational domain by a reflectionless artificial layer which absorbs outgoing waves regardless of their frequency and angle of incidence. In this paper, we present the near-field numerical performance analysis of our new PML approach, which we call as locally-conformal PML, using Monte Carlo simulations. The locally-conformal PML method is an easily implementable conformal PML implementation, to the problem of mesh truncation in the FEM. The most distinguished feature of the method is its simplicity and flexibility to design conformal PMLs over challenging geometries, especially those with curvature discontinuities, in a straightforward way without using artificial absorbers. The method is based on a special complex coordinate transformation which is ‘locally-defined’ for each point inside the PML region. The method can be implemented in an existing FEM software by just replacing the nodal coordinates inside the PML region by their complex counterparts obtained via complex coordinate transformation. We first introduce the analytical derivation of the locally-conformal PML method for the FEM solution of the two-dimensional scalar Helmholtz equation arising in the mathematical modeling of various steady-state (or, time-harmonic) wave phenomena. Then, we carry out its numerical performance analysis by means of some Monte Carlo simulations which consider both the problem of constructing the two-dimensional Green’s function, and some specific cases of electromagnetic scattering.     

Near-field performance analysis of locally-conformal perfectly matched absorbers via Monte Carlo simulations

In the numerical solution of some boundary value problems by the finite element method (FEM), the unbounded domain must be truncated by an artificial absorbing boundary or layer to have a bounded computational domain. The perfectly matched layer (PML) approach is based on the truncation of the computational domain by a reflectionless artificial layer which absorbs outgoing waves regardless of their frequency and angle of incidence. In this paper, we present the near-field numerical performance analysis of our new PML approach, which we call as locally-conformal PML, using Monte Carlo simulations. The locally-conformal PML method is an easily implementable conformal PML implementation, to the problem of mesh truncation in the FEM. The most distinguished feature of the method is its simplicity and flexibility to design conformal PMLs over challenging geometries, especially those with curvature discontinuities, in a straightforward way without using artificial absorbers. The method is based on a special complex coordinate transformation which is ‘locally-defined’ for each point inside the PML region. The method can be implemented in an existing FEM software by just replacing the nodal coordinates inside the PML region by their complex counterparts obtained via complex coordinate transformation. We first introduce the analytical derivation of the locally-conformal PML method for the FEM solution of the two-dimensional scalar Helmholtz equation arising in the mathematical modeling of various steady-state (or, time-harmonic) wave phenomena. Then, we carry out its numerical performance analysis by means of some Monte Carlo simulations which consider both the problem of constructing the two-dimensional Green’s function, and some specific cases of electromagnetic scattering.     

Efficiency of excitation of a quasioptical open resonator by a waveguide

We study theoretically and experimentally the efficiency of excitation of an open resonator by a waveguide. A two-dimensional model of a quasioptical two-mirror open resonator, which is excited through a coupling element in the form of an open end of a plane-parallel waveguide, is proposed. The field of the open resonator is represented as the superposition of Gaussian wave beams and its scattering on the coupling element is described by solving the problem of diffraction of waveguide waves and Gaussian wave beams on an open end of a flanged waveguide. Properties of the mirrors and the resonator loss are specified from physical considerations. The calculation results are compared with the experimental data, and a physical interpretation of the obtained results is offered. The factors which influence the efficiency of excitation of an open resonator are identified. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Radiofizika, Vol. 52, No. 3, pp. 231–249, March 2009.     

Flat band localization due to self-localized orbital

We discover a new wave localization mechanism in a periodic wave system, which can produce a novel type of flat band and is distinct from the known localization mechanisms, i.e., Anderson localization and flat band lattices. The first example we give is a designed electron waveguide (EWG) on 2DEG with special periodic confinement potential. Numerical calculations show that, with proper confinement geometry, electrons can be completely localized in an open waveguide. We interpret this flat band localization (FBL) phenomenon by introducing the concept of self-localized orbitals. Essentially, each unit cell of the waveguide is equivalent to an artificial atom, where the self-localized orbital is a special eigenstate with unique spatial distribution. These self-localized orbitals form the flat bands in the waveguide. Such self-localized orbital induced FBL is a general phenomenon of wave motion, which can arise in any wave systems with carefully engineered boundary conditions. We then design a metallic waveguide (MWG) array to illustrate that similar FBL can be readily realized and observed with electromagnetic waves.     

Simulation of Millimeter Wave Circulators by FEM with Unifrontal/Multifrontal Technique

The combination of unifrontal and multifrontal techniques is applied for solving a large, sparse, and unsymmetric system of linear equations resulting from the use of edge-based finite element method (FEM) for millimeter wave ferrite devices. The formulation of finite element method combined with the perfectly matched layers (PML) is given and the combined algorithm of unifrontal and multifrontal methods is described. The lower data movement of unifrontal method and the lower fill-in of normal multifrontal methods are combined for an algorithm with their features. The performance of typical waveguide junction circulators is analyzed and the calculated results are compared with those obtained from the literature.     

2.5维圆波导开放边界截断的修正完全匹配层方法

 在时域有限差分算法中，完全匹配层是一种高效的吸收边界条件。通过在标准完全匹配层(PML)方程中添加具有物理意义的电导率和导磁率附加项，提出了修正完全匹配层(MPML)方法，给出了圆柱坐标下3维MPML方程，并应用于2.5维圆波导开放边界的截断计算。计算结果表明，在不同频率和模式的激励下，加入平滑电导率和导磁率附加项后，与标准PML方法相比，MPML方法的相对误差降低8~10 dB。     

Efficient Analysis of Millimeter Wave Ferrite Circulators by the GMRES Iterative Algorithm

The finite element method (FEM) combined with the perfectly matched layers (PML) is given for simulation of waveguide ferrite circulators. The generalized minimal residual (GMRES) iterative method is applied to solve such sparse large non-symmetric system of linear equations resulting from the use of edge-based finite element method. The formulation of FEM and the algorithm of GMRES method are described in detail. The reflection and insertion losses of millimeter wave waveguide circulator are analyzed and the results are compared with those obtained from literature.     

Semi-guided plane wave reflection by thin-film transitions for angled incidence

The non-normal incidence of semi-guided plane waves on step-like or tapered transitions between thin film regions with different thicknesses, an early problem of integrated optics, is being reconsidered. As a step beyond the common effective index picture, we compare two approaches on how this problem can be tackled—at least approximately—by nowadays readily available simulation tools for integrated optics design. Accepting the scalar approximation, using an ansatz of harmonic field dependence on the position along the interface, the 3-D problem reduces to a 2-D Helmholtz problem, for guided wave input and transparent-influx boundary conditions, with an effective permittivity that depends on the incidence angle. Alternatively, one complements the structure with a second mirrored interface, such that the 2-D cross section of a wide multimode rib waveguide emerges. Constraints for transverse resonance then permit to translate the propagation constants of its polarized modes into discrete samples of the phase changes experienced by an in-plane guided wave upon total internal reflection at the sidewalls.     

Operator method in electromagnetic waves diffraction by semi-infinite diaphragm system in rectangular waveguide problem

Conclusions The investigations carried out show that the electromagnetic waves diffraction problem by semi-infinite diaphragm system in rectangular waveguide may be solved with the help of the operator method. This approach allows to investigate the main characteristics of these electrodynamic systems and to establish the fact of total reflection regions in semi-infinite diaphragm system and its connection with the “fading” regions in corresponding infinite structures. This physical fact is common for these objects. It is obviously that any rejection filters may be designed with the help of semi-infinite diaphragm system. However, it is necessary to have accuracy and sufficiently simple method for designing these devices, especially in millimetre wave region. The characteristics analysis method for semi-infinite and finitely element systems may be a subject of further investigations.     

基于广角FD-BPM的PML边界处理方法

本文提出了基于三阶Padé近似广角有限差分光束传输法(FD-BPM)的简单有效的完美匹配层(PML)边界处理方法.分别给出了该方法应用于斜波导和多模干涉(MMI)数值模拟的结果,并与用完全透明边界条件处理的模拟计算结果进行了比较.本文最后对基于广角FD-BPM的PML边界处理方法进行了优化.     

Wave reflection and transmission due to defects in infinite structural waveguides at high frequencies

In waveguide structures, waves may be partially reflected by local non-uniformities such as cracks and other defects. The reflection and transmission characteristics associated with the presence of a discontinuity may be used, in principle, to give some indication of both the location and size of the defect. A combined spectral element and finite element (SE/FE) method has been used previously to investigate the effects of local non-uniformities at relatively low frequencies. However, for analysis at higher frequencies, where complex deformation of the waveguide occurs, it is necessary to extend this approach. Such high frequency analysis is necessary if small defects are to be located within the waveguide cross-section. In order to investigate wave propagation at higher frequencies, a combined spectral super element and finite element (SSE/FE) method is presented. This method allows the transmission, reflection and wave conversion at discontinuities to be determined for complex waveguides. As an example of the use of this method, wave reflection and transmission in rails are estimated at frequencies between 20 and 40 kHz for various notional sawcut-like defects of progressively increasing size. This shows the feasibility of the approach for realistic waveguides. However, from these simulations it is shown that defects have to be quite large before they can be detected using a single transducer position on the rail cross-section using train-induced vibration.     

Modelling of photonic crystal waveguides: a simple and accurate approach

We present an improved variational effective index method for reduction of 2-D Bragg grating problems to 1-D and show significant improvements particularly at smaller wavelengths. The method is based on the optimal variational (Vopt) method, which we have earlier used successfully for conventional waveguides. A 1-D transverse profile along with a longitudinal index variation are reduced to a 1-D longitudinal distribution, reflection and transmission spectra of which have been studied for both the TE and TM modes by transfer matrix methods. An accurate modeling for the out of plane scattering losses has been presented which occur when a guided wave propagating in a conventional waveguide impinges on a photonic crystal waveguide. Taking these losses into account brings the results pretty close to those of a rigorous 2-D Helmholtz solver QUEP, improving them remarkably over the variational EIM (vEIM) results.     

Frequency domain finite-element and spectral-element acoustic wave modeling using absorbing boundaries and perfectly matched layer

Wave propagation modeling as a vital tool in seismology can be done via several different numerical methods among them are finite-difference, finite-element, and spectral-element methods (FDM, FEM and SEM). Some advanced applications in seismic exploration benefit the frequency domain modeling. Regarding flexibility in complex geological models and dealing with the free surface boundary condition, we studied the frequency domain acoustic wave equation using FEM and SEM. The results demonstrated that the frequency domain FEM and SEM have a good accuracy and numerical efficiency with the second order interpolation polynomials. Furthermore, we developed the second order Clayton and Engquist absorbing boundary condition (CE-ABC2) and compared it with the perfectly matched layer (PML) for the frequency domain FEM and SEM. In spite of PML method, CE-ABC2 does not add any additional computational cost to the modeling except assembling boundary matrices. As a result, considering CE-ABC2 is more efficient than PML for the frequency domain acoustic wave propagation modeling especially when computational cost is high and high-level absorbing performance is unnecessary.     

Numerical method of designing three-dimensional open cloaks with arbitrary boundary shapes

In this paper, three-dimensional (3-D) open cloaks were designed based on the coordinate transformation method. When the transformation center point is close to the boundary of the cloaks, the material parameter tensors in the near-boundary areas of the cloaks approximate to those in the background, so the near-boundary areas can be designed to be open. Full wave simulations based on finite element method verified the open cloaks we designed. Open cloaks can exchange information and materials with background media. Using the design method proposed in this paper, the boundary of open cloaks can be arbitrarily shaped, which greatly enhances the applicability of open cloaks.     

层状介质时域有限差分方法斜入射平面波引入新方式

应用二维时域有限差分方法分析层状介质中的目标散射时,在总场-散射场边界斜入射平面波源用常规方法难以引入,因为在总场-散射场边界处设置的入射波实际上包含了入射脉冲以及各分层界面的反射和多次反射.为解决这个问题,提出了斜入射平面波的混合引入方式,即对总场-散射场的四个边界面采取不同的处理方式.对于总场-散射场的纵向侧边界,用含有斜入射角度的修正一维时域有限差分方法,只要在自由空间位置加入入射脉冲就会自行产生由各分层界面形成的反射波,包括多次反射.同时,把纵向总场-散射场侧边界向下延伸,使得总场-散射场下边界位于完全匹配层内,这样透射波和散射波均为外向行波而被吸收.对于总场-散射场的上边界,由于完全位于自由空间中,边界上各点的入射波将是总场-散射场纵向边界角点处入射波的带有时间延迟的复制.数值模拟结果表明了本文所提出方法的正确性和有效性. 关键词： 时域有限差分 层状介质 斜入射平面波 修正一维麦克斯韦方程     

聚合物电光调制器中M-Z波导TM模分析

M-Z光波导是聚合物电光调制器的重要结构单元。利用有效折射率法计算聚合物脊形波导的横向折射率分布，将三维光波场传播简化为二维传播。从导模满足的标量波动方程出发，结合透明边界条件，采用Crank-Nicholson差分格式，得出有限差分束传播法的基本计算格式。通过对M Z型波导结构中TM模的传播及损耗特性进行理论分析，系统地研究了脊宽、分支角等结构参数对损耗的影响。研究表明，有效折射率法与二维有限差分束传播法的结合可以较好地解决脊形M Z波导的设计问题。该方法具有精度高、计算量小及效率高等优点，为聚合物电光调制器的制备提供了理论依据。     

Effect of metal boundaries on surface-wave spectrum in plasma-vacuum structures

The effect of metal on the surface-wave spectrum in cylindrical metal-plasma-vacuum-metal and metal-vacuum-plasma-metal waveguide structures and waveguides with a single metal boundary is investigated. It is shown that such boundaries can greatly affect the spectral properties of the waveguide and change the nature of surface-wave dispersion. Analytic expressions are obtained for the frequency of symmetrical surface waves in various spectrum intervals. The strong dependence of phase velocity on the size of the internal metal cylinder that is found can be convenient for beam and wave synchronization in a plasma waveguide.