Introduction
Overview of software packages • Semiconductor device modeling
– 1-D vs 2-3-D problems
and capabilities
• Circuit modeling, device modeling in 2-D
• Modeling of radiation transport
Lecture 2 • Common coupled problems in physics and
engineering (electric/magnetic fields, heat
Special Topics: transport, etc.)
Device Modeling
Outline AMPS-1D
• AMPS-1D: photovoltaic devices; other junctions • A one-dimensional device simulation program for the
Analysis of Microelectronic and Photonic Structures
• SCAPS: photovoltaic devices; radiation detectors (AMPS)
can be modeled through a special approach
• Created by the group at the Center for Nanotechnology
• PSPICE: electrical circuit design Education and Utilization, the Pennsylvania State
• MCNP: Monte Carlo radiation transport University (professor Stephen J. Fonash and his group)
• The program is continuously supported and further
• COMSOL Multiphysics: partial differential
developed (http://www.ampsmodeling.org)
equation solver
• Originally created for Unix, now under Windows platform
(for Windows 7 runs under XP mode/Virtual PC)
• YouTube tutorial: https://youtu.be/9jhs-UFZ_ZM
AMPS-1D AMPS-1D: modeled structures
• The objective of AMPS is to teach how material
properties (e.g., band gap, affinity, doping, • Homojunction and heterojunction p-n and p-i-n,
mobilities, doping, gap state defect distributions in solar cells, detectors, microelectronic (ME)
the bulk and at interfaces, etc.) and device structures (e.g., MIS, FET)
design/structure together control device physics and • Multi-junction solar cell and ME structures
thereby device response to light, voltage, and • Compositionally-graded detector, solar cell, and
temperature ME structures
• Numerically solves for 1-D case the three governing • Schottky barrier devices with optional back layers
semiconductor device equations (Poisson equation, • Novel device ME, photovoltaic, and opto-
and free electron and hole continuity equations) electronic structures
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AMPS-1D main features AMPS-1D input
• Able to handle various defect levels and doping,
energy gap and special energy distributions • Device is represented as a stack of layers with
specified material properties (semiconductor,
• Shockley-Read-Hall (S-R-H) and band-to-band metal, or insulator) and interface parameters
recombination (no tunneling)
• All input parameters fall into one of three general
• Boltzmann and Fermi-Dirac statistics categories:
• Varying material properties – Parameters that apply over the entire device
• Very general treatment of contacts – Parameters that apply to a particular region
• Ability to handle transport in devices under voltage – Parameters that define the illuminating spectrum (for
bias, light bias, or both cases with light).
AMPS-1D: recent
AMPS-1D output
developments
• Developed standard models, at the level of best • New wxAMPS is available through university of
efficiencies for major PV devices (Si, CdTe, CIGS) Illinois (Angus Rockett group)
• Capable of calculating: • Executable and supporting files for Windows 7/8
– band diagrams • Beyond the original AMPS kernel, wxAMPS
– current components, current-voltage characteristics incorporates two tunneling models
– recombination, generation profiles • Based on the option for an unlimited number of
– electric field as a function of light intensity, voltage, layers in the simulation, modeling graded solar
temperature
cells can be implemented easily in wxAMPS
• Output: plots of the above functions
Y. Liu, Y. Sun, and A. Rockett, "A new simulation software of solar cells--wxAMPS", Solar
Energy Materials and Solar Cells, 2012.
SCAPS-1D SCAPS-1D
• SCAPS (a Solar Cell Capacitance Simulator) is a • Originally was developed for polycrystalline cell
one-dimensional thin-film solar cell simulation structures of the CuInSe2 and the CdTe family
program
• Recent developments make it applicable to crystalline
• Developed at the Department of Electronics and and amorphous solar cells (Si, GaAs, a-Si)
Information Systems (ELIS) of the University of
• The basic equations are: the Poisson equation, relating
Gent, Belgium
the charge to the electrostatic potential F, and the
• The program is continuously supported and further continuity equations for electrons and holes (same as
developed (http://scaps.elis.ugent.be) AMPS-1D)
• Runs under later Windows (7/8)
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SCAPS-1D: input SCAPS-1D: input
• Device is represented as a stack of layers, up to 7 • Defect levels: in bulk, or at interface; various
semiconductor layers with specified properties energy distributions and charge states (now
• Almost all parameters can be graded (i.e. dependent including multivalent and metastable)
on the local composition or on the depth in the cell, • Tunneling: intra-band tunneling (within a
can be entered from a file) conduction band or within a valence band);
• Recombination mechanisms: band-to-band (direct), tunneling to and from interface states
Auger, SRH-type • Generation: either from internal calculation under
• Contacts: specified work function or flat-band; optical illumination or from user supplied g(x) file
property (reflection of transmission filter) filter (allows for modeling of radiation detectors)
SCAPS-1D: output SCAPS-1D: output
• Working point for calculations: voltage, frequency, • In each calculation the running parameter (V, f, or l)
temperature is varied in the specified range
• Calculates energy bands, concentrations and currents • Plot all calculated parameters, such as I/V, C/V, C/f,
at a given working point, J-V characteristics, AC Q(l), band diagrams, concentrations, and currents
characteristics (capacitance, conductance as function • All calculations can be saved in ASCII format
of V and/or f ), spectral response (also with bias light • When divergence occurs, the points calculated so far
or voltage) are not lost, they are shown on the corresponding
• Batch calculations possible; presentation of results graphs
and settings as a function of batch parameters
Other device simulation
SCAPS-1D additional features
packages
• Data analysis is supported within the package: any • TCAD - Technology Computer Aided Design –is
ASCII-text file can be read as a measurement file a branch of electronic design automation that
– The file extension indicates which kind of measurement models semiconductor fabrication, and operation
it contains: ‘.iv’, ‘.cv’, ‘.cf’ or ‘.qe’ • The modeling of the fabrication is termed Process
• A built-in curve fitting facility TCAD, while the modeling of the device operation
• Quantum efficiency panel is termed Device TCAD
• A panel for the interpretation of admittance • May also include compact models (such as the
measurements (C/f and C/V) well known SPICE transistor models), which try
to capture the electrical behavior of such devices
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Other device simulation
SPICE: history
packages
• SPICE program (Simulation Program with
• Major suppliers of TCAD tools include Synopsys, Silvaco,
Crosslight, Cogenda Software, VisualTCAD and Global Integrated Circuit Emphasis) is dedicated to
TCAD Solutions process modeling in electrical circuits
• The open source GSS, Archimedes, Aeneas, NanoTCAD • First SPICE program was developed at the
ViDES, DEVSIM, and GENIUS have some of the Electronics Research Laboratory of the University
capabilities of the commercial products of California, Berkeley (SPICE1 1973, SPICE2
• TCAD Central (http://www.tcadcentral.com/) maintains an 1975, coded in Fortran), was distributed for a
information resource for available TCAD software, both
nominal charge to cover cost of magnetic tapes
commercial and free
• SPICE inspired and served as a basis for many
other circuit simulation programs
SPICE: general capabilities SPICE: available packages
• XSPICE, academic spinoff, by Georgia Tech
• AC/DC analysis
• Cider (previously CODECS, from UC Berkeley/
• DC transfer curve analysis (a sequence of nonlinear Oregon State Univ.), added semiconductor device
operating points calculated while sweeping an input simulation
voltage or current)
• HSPICE, commercial product by Synopsys, Inc.
• Noise analysis
• PSPICE, commercial product, presently owned by
• Transfer function analysis (a small-signal Cadence, distributed under OrCad
input/output gain and impedance calculation)
• Several SPICE-based circuit simulation programs by
• Transient analysis (time-domain large-signal solution various IC manufacturers
of nonlinear differential algebraic equations)
OrCAD package: Capture CIS OrCAD package: Capture CIS
• Capture CIS (component information system) - • The circuit diagram drawn in Capture is
used to create schematics and produce connectivity represented as a netlist of all the components and
and simulation information for printed circuit their respective connections to other components
boards (PCB) and programmable logic designs • Text file can be parsed, properties of components
– Choose to set up a PSpice project, PCB project, or modified before running through PSpice
programmable logic project when start a new project
• Multiple on-line tutorials are available (some are
• Provides standard libraries of parts that can be used excessive in showing how to use every menu item)
to design schematics; use the property editor to
add, change, or delete properties, create your own
custom parts and library
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OrCAD package: Capture CIS OrCAD package: PSpice
Full schematic view Editing part properties
• Pspice is a simulation tool that performs analysis
of analog and mixed-signal circuits
• Includes model libraries that feature over 15,000
analog and 1,600 digital models of devices
manufactured world-wide
• Uses schematics from Capture, including edited
standard and custom parts
• Types of analyses: transient, AC, DC, parametric
sweep, and worst-case
OrCAD package: PSpice OrCAD package: PSpice
• Advanced Analysis tool (used in conjunction with • DC bias point analysis calculates node voltages
PSpice A/D) is available to analyze and currents through devices in the circuit
– Sensitivity – identifies critical circuit components • It takes into account any voltage sources applied
– Optimizer – optimizes key circuit components to the circuit and any initial conditions set on
– Monte Carlo – analyzes statistical circuit behavior and devices or nodes in the circuit
yield
• The output file provides a list of the entire analog
– Smoke – detects component stress
and digital node voltages, currents, and other
– Parametric Plotter – examines solution space through
relevant parameters
nested sweeps
OrCAD package: PSpice MCNP
Sample RC circuits for Waveform for voltage across • Monte Carlo N-particle radiation transport
transient analysis capacitor package
• Developed and maintained by Los Alamos
National Laboratory
• Neutron/Photon/Electron particle transport,
including coupled transport
• General 3D geometry including array features
• Time dependent problems
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MCNP:
MCNP Basic application areas
• Various tally options and arrangements • Radiation dosimetry
• Many variance reduction techniques • Radiation shielding design
• Health Physics
• Calculations can be parallelized, and
configured in a multiprocessing mode on a • Nuclear physics
– Criticality Evaluations
cluster of workstations (with PVM or MPI
– Reactor Analysis and Design
software)
• Any other problems dealing with ionizing
radiation in the keV-MeV-GeV energy range
MCNP: MCNP:
Medical physics applications Medical physics applications
Examples discussed in MCNP Med. Phys. primer
• Calculation of dose from Tc-99m diagnostic therapy MIRD12 phantom
• Calculation of Medical Internal Radiation Dose • ORNL 1996
(MIRD), specific absorbed fraction (SAF) values
• 35 discrete cells
using the ORNL MIRD phantom
• 3 materials (soft,
• X-ray phototherapy effectiveness
bone, lung)
• Prostate brachytherapy lifetime dose calculations
• A radiograph of the head using the Zubal head
phantom
MCNP:
COMSOL Multiphysics
Medical physics applications
• Partial differential equation solver package with
Zubal head phantom front-end developed for visual input and output
• 85 x 109 x 120 voxels • Takes input in terms of user-defined equations
• 2.2 x 2.2 x 1.4 mm3 • Most used through different “modules” with
• 25 Brain structure predefined “physics”, greatly simplifying modeling
tallies of device geometry, governing equations, boundary
• 15 materials conditions, etc.
• Jeff Evans, Ohio State • Available across platforms (Windows, MAC,
Linux); since version 5 allows for creating physics-
based apps
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COMSOL: Physics-based COMSOL Multiphysics: modules
modeling (main program)
• Electrostatics, and electric currents
• Heat transfer in solids and fluids
• Joule heating
• Laminar flow
• Pressure acoustics
• Solid mechanics
• Transport of diluted species
• Additional physics interfaces through modules
COMSOL Multiphysics: modules
COMSOL: Geometry modeling
• Primitive solid objects, including block, cone, cylinder,
sphere, ellipsoid, torus; parametric helix, curves and surfaces
• Interpolation curves; extrude, revolve, sweep; boolean
operations union, intersection, difference, and partition
• Hybrid modeling with solids, surfaces, curves, and points
• Work Plane with 2D geometry modeling
• CAD import and interoperability with add-on CAD Import
Module and LiveLink products for CAD
• CAD repair and defeaturing with add-on CAD Import Module
and LiveLink products for CAD
COMSOL: Meshing COMSOL: Results
• Free tetrahedral meshing • Visualization: surface plots, isosurface plots, arrow
• Swept mesh with prism and hex elements plots, slice plots, streamline plots, contour plots
• Boundary layer meshing • Post-processing
– Integration, average, max, and min of arbitrary
• Free triangular meshing of 3D surfaces and 2D models quantities over volumes, surfaces, edges, and points
• Mapped and free quad meshing of 3D surfaces and 2D – Custom mathematical expressions including field
models variables, their derivatives, spatial coordinates, time,
• Copy mesh operation; virtual geometry operations and complex-valued quantities
• Mesh partitioning of domains, boundaries, and edges
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COMSOL Multiphysics COMSOL Multiphysics
Example:
Stator blade in the
turbine stage of a jet
engine is heated by
combustion gases, where
the resulting temperature
gradients introduce
significant stresses.
To prevent the stator
from melting, air is
passed through a cooling
duct in the blade.
COMSOL: AC/DC module COMSOL: AC/DC module
• The AC/DC Module is used for
simulating electric, magnetic,
and electromagnetic fields in
static and low-frequency
applications
• Typical applications include
capacitors, inductors, insulators,
coils, motors, actuators, and
COIL MODELING: The model shows a 50-Hz AC sensors, with dedicated tools for
coil wound around a ferromagnetic core. The extracting parameters such as
complex coil winding geometry can be easily
modeled using a multiturn coil feature. resistance, capacitance,
Visualization shows the magnetic flux density inductance, impedance, force,
(arrow plot) and the magnetic flux density norm
on the ferromagnetic core. and torque
Summary References
• Many software packages are available for • A manual for AMPS-1D, The Center for Nanotechnology Education and
modeling of simple and complex devices, Utilization, The Pennsylvania State University
• Y. Liu, Y. Sun, and A. Rockett, "A new simulation software of solar cells--
and transport processes wxAMPS", Solar Energy Materials and Solar Cells, 2012
• Viable free options developed within • M. Burgelman, P. Nollet, S. Degrave, Thin Solid Films 361 (2000) 527
• OrCAD Capture user manual, PSpice user manual
academic environment • An MCNP Primer, J. K. Shultis, R. E. Faw, Dept. of Mech. and Nuc.
• Commercial packages are available for Engineering, Kansas State Univ., 2004-20011
• H.G. Hughes, "Features of MCNP6 Relevant to Medical Radiation Physics",
evaluation either in limited capacity, or for a presentation at RPSD-2012, Nara, Japan, LA-UR-12-24401 (2012)
limited time • Introduction to COMSOL Multiphysics, www.comsol.com
