Publications-journals.bib

@COMMENT{{{This file has been generated by bib2bib 1.75}}
@COMMENT{{{Command line: bib2bib -ob Publications-journals.bib -c '$type = "ARTICLE" and exists abstract' /Users/Clemens/Documents/Curriculum-Vitae/Publications.bib}}

@ARTICLE{ringhofer2008multi-scale,
  AUTHOR = {Christian Ringhofer AND Clemens Heitzinger},
  TITLE = {Multi-Scale Modeling and Simulation of Field-Effect Biosensors},
  JOURNAL = {ECS Transactions},
  VOLUME = 14,
  YEAR = 2008,
  MONTH = AUG,
  URL = {},
  PDF = {},
  ABSTRACT = {},
  NOTE = {\textit{Accepted for publication}}
}

@ARTICLE{heitzinger2008modeling,
  AUTHOR = {Clemens Heitzinger AND Rick Kennell AND Gerhard Klimeck AND Norbert Mauser AND Michael McLennan AND Christian Ringhofer},
  TITLE = {Modeling and Simulation of Field-Effect Biosensors ({BioFETs}) and Their Deployment on the {nanoHUB}},
  JOURNAL = {J. Phys.: Conf. Ser.},
  VOLUME = 107,
  PAGES = {012004/1--12},
  YEAR = 2008,
  DOI = {doi:10.1088/1742-6596/107/1/012004},
  URL = {http://www.iop.org/EJ/abstract/1742-6596/107/1/012004},
  PDF = {http://www.iop.org/EJ/article/1742-6596/107/1/012004/jpconf8_107_012004.pdf},
  ABSTRACT = {BioFETs (biologically active field-effect transistors) are
                  biosensors with a semiconductor transducer. Due to
                  recent experiments demonstrating detection by a
                  field effect, they have gained attention as
                  potentially fast, reliable, and low-cost biosensors
                  for a wide range of applications. Their advantages
                  compared to other technologies are direct,
                  label-free, ultra-sensitive, and (near) real-time
                  operation. We have developed 2D and 3D multi-scale
                  models for planar sensor structures and for nanowire
                  sensors. The multi-scale models are indispensable
                  due to the large difference in the characteristic
                  length scales of the biosensors: the charge
                  distribution in the biofunctionalized surface layer
                  varies on the Angstrom length scale, the diameters
                  of the nanowires are several nanometers, and the
                  sensor lengths measure several micrometers. The
                  multi-scale models for the electrostatic potential
                  can be coupled to any charge transport model of the
                  transducer. Conductance simulations of nanowire
                  sensors with different diameters provide numerical
                  evidence for the importance of the dipole moment of
                  the biofunctionalized surface layer in addition to
                  its surface charge. We have also developed a web
                  interface to our simulators, so that other
                  researchers can access them at the nanohub and
                  perform their own investigations.}
}

@ARTICLE{heitzinger2007finite,
  AUTHOR = {Clemens Heitzinger AND Christian Ringhofer AND Siegfried Selberherr},
  TITLE = {Finite Difference Solutions of the Nonlinear {Schrödinger} Equation and their Conservation of Physical Quantities},
  JOURNAL = {Commun. Math. Sci.},
  VOLUME = 5,
  NUMBER = 4,
  PAGES = {779-788},
  MONTH = DEC,
  YEAR = 2007,
  URL = {http://www.intlpress.com/CMS/p/2007/issue5-4/CMS-5-4-A2-Heitzinger.pdf},
  PDF = {http://www.intlpress.com/CMS/p/2007/issue5-4/CMS-5-4-A2-Heitzinger.pdf},
  ABSTRACT = {The solutions of the nonlinear Schrödinger equation are of
                  great importance for ab initio calculations. It can
                  be shown that such solutions conserve a countable
                  number of quantities, the simplest being the local
                  norm square conservation law. Numerical solutions of
                  high quality, especially for long time intervals,
                  must necessarily obey these conservation laws. In
                  this work we first give the conservation laws that
                  can be calculated by means of Lie theory and then
                  critically compare the quality of different finite
                  difference methods that have been proposed in
                  geometric integration with respect to conservation
                  laws. We find that finite difference schemes derived
                  by writing the Schrödinger equation as an
                  (artificial) Hamiltonian system do not necessarily
                  conserve important physical quantities better than
                  other methods.}
}

@ARTICLE{heitzinger2007effective,
  AUTHOR = {Clemens Heitzinger AND Christian Ringhofer},
  TITLE = {An Effective Quantum Potential for Particle-Particle Interactions in Three-dimensional Semiconductor Device Simulations},
  JOURNAL = {Journal of Computational Electronics},
  VOLUME = 6,
  NUMBER = 4,
  PAGES = {401-408},
  YEAR = 2007,
  DOI = {10.1007/s10825-007-0148-4},
  URL = {http://dx.doi.org/10.1007/s10825-007-0148-4},
  PDF = {http://www.springerlink.com/content/x2m56hq080724k05/fulltext.pdf},
  ABSTRACT = {The classical Coulomb potential and force can be calculated
                  efficiently using fast multi-pole methods. Effective
                  quantum potentials, however, describe the physics of
                  electron transport in semiconductors more
                  precisely. Such an effective quantum potential was
                  derived previously for the interaction of an
                  electron with a barrier for use in particle-based
                  Monte Carlo semiconductor device simulators. The
                  method is based on a perturbation theory around
                  thermodynamic equilibrium and leads to an effective
                  potential scheme in which the size of the electron
                  depends upon its energy and which is
                  parameter-free. Here we extend the method to
                  electron-electron interactions and show how the
                  effective quantum potential can be evaluated
                  efficiently in the context of many-body
                  problems. Finally several examples illustrate how
                  the momentum of the electrons changes the classical
                  potential.}
}

@ARTICLE{heitzinger2007computational,
  AUTHOR = {Clemens Heitzinger AND Gerhard Klimeck},
  TITLE = {Computational Aspects of the Three-Dimensional Feature-Scale Simulation of Silicon-Nanowire Field-Effect Sensors for {DNA} Detection},
  JOURNAL = {Journal of Computational Electronics},
  VOLUME = 6,
  NUMBER = {1-3},
  PAGES = {387-390},
  YEAR = 2007,
  DOI = {10.1007/s10825-006-0139-x},
  URL = {http://www.springerlink.com/content/k888322550q77216/?p=3775349bb29e4462a47731b834eecf5b&pi=2},
  PDF = {http://www.springerlink.com/content/k888322550q77216/fulltext.pdf},
  ABSTRACT = {In recent years DNA-sensors, and generally biosensors, with
                  semiconducting transducers were fabricated and
                  characterized. Although the concept of so-called
                  BioFETs was proposed already two decades ago, its
                  realization has become feasible only recently due to
                  advances in process technology. In this paper a
                  comprehensive and rigorous approach to the
                  simulation of silicon-nanowire DNAFETs at the
                  feature-scale is presented. It allows to investigate
                  the feasibility of single-molecule detectors and is
                  used to elucidate the performance that can be
                  expected from sensors with nanowire diameters in the
                  deca-nanometer range. Finally the computational
                  challenges for the simulation of silicon-nanowire
                  DNA-sensors are discussed.}
}

@ARTICLE{heitzinger2007monte,
  AUTHOR = {Clemens Heitzinger AND Christian Ringhofer AND Shaikh Ahmed AND Dragica Vasileska},
  TITLE = {{3D} {Monte-Carlo} Device Simulations Using an Effective Quantum Potential Including Electron-Electron Interactions},
  JOURNAL = {Journal of Computational Electronics},
  VOLUME = 6,
  NUMBER = {1-3},
  PAGES = {15-18},
  YEAR = 2007,
  DOI = {10.1007/s10825-006-0058-x},
  URL = {http://www.springerlink.com/content/k5550m151310078v/?p=3775349bb29e4462a47731b834eecf5b&pi=0},
  PDF = {http://www.springerlink.com/content/k5550m151310078v/fulltext.pdf},
  ABSTRACT = {Effective quantum potentials describe the physics of
                  quantum-mechanical electron transport in
                  semiconductors more than the classical Coulomb
                  potential. An effective quantum potential was
                  derived previously for the interaction of an
                  electron with a barrier for use in particle-based
                  Monte Carlo semiconductor device simulators. The
                  method is based on a perturbation theory around
                  thermodynamic equilibrium and leads to an effective
                  potential scheme in which the size of the electron
                  depends upon its energy and which is
                  parameter-free. Here we extend the method to
                  electron-electron interactions and show how the
                  effective quantum potential can be evaluated
                  efficiently in the context of many-body
                  problems. The effective quantum potential was used
                  in a three-dimensional Monte-Carlo device simulator
                  for calculating the electron-electron and
                  electron-barrier interactions. Simulation results
                  for an SOI transistor are presented and illustrate
                  how the effective quantum potential changes the
                  characteristics compared to the classical
                  potential.}
}

@ARTICLE{wessner2006anisotropic,
  AUTHOR = {Wilfried Wessner AND Johann Cervenka AND Clemens Heitzinger AND Andreas Hössinger AND Siegfried Selberherr},
  TITLE = {Anisotropic Mesh Refinement for the Simulation of Three-Dimensional Semiconductor Manufacturing Processes},
  JOURNAL = {IEEE Trans. Computer-Aided Design of Integrated Circuits and Systems},
  VOLUME = 25,
  NUMBER = 10,
  PAGES = {2129-2139},
  MONTH = OCT,
  YEAR = 2006,
  DOI = {10.1109/TCAD.2005.862750},
  URL = {http://ieeexplore.ieee.org/search/srchabstract.jsp?arnumber=1677696&isnumber=35285&punumber=43&k2dockey=1677696@ieeejrns&query=%28heitzinger+%3Cin%3E+metadata%29+%3Cand%3E+%2843+%3Cin%3E+punumber%29&pos=0},
  PDF = {http://ieeexplore.ieee.org/iel5/43/35285/01677696.pdf?tp=&isnumber=35285&arnumber=1677696&punumber=%3Cb%3E%3Cfont%20color=990000%3E43%3C/font%3E%3C/b%3E},
  ABSTRACT = {This paper presents an anisotropic adaptation strategy for
                  three-dimensional unstructured tetrahedral meshes,
                  which allows us to produce thin mostly anisotropic
                  layers at the outside margin, i.e., the skin of an
                  arbitrary meshed simulation domain. An essential
                  task for any modern algorithm in the finite-element
                  solution of partial differential equations,
                  especially in the field of semiconductor process and
                  device simulation, the major application is to
                  provide appropriate resolution of the partial
                  discretization mesh. The start-up conditions for
                  semiconductor process and device simulations claim
                  an initial mesh preparation that is performed by
                  so-called Laplace refinement. The basic idea is to
                  solve Laplace’s equation on an initial coarse mesh
                  with Dirichlet boundary conditions. Afterward, the
                  gradient field is used to form an anisotropic metric
                  that allows to refine the initial mesh based on
                  tetrahedral bisection.}
}

@ARTICLE{heitzinger2005method,
  AUTHOR = {Clemens Heitzinger AND Alireza Sheikholeslami AND Jong-Mun Park AND Siegfried Selberherr},
  TITLE = {A Method for Generating Structurally Aligned Grids for Semiconductor Device Simulation},
  JOURNAL = {IEEE Trans. Computer-Aided Design of Integrated Circuits and Systems},
  VOLUME = 24,
  NUMBER = 10,
  PAGES = {1485-1491},
  MONTH = OCT,
  YEAR = 2005,
  URL = {http://ieeexplore.ieee.org/search/srchabstract.jsp?arnumber=1512368&isnumber=32384&punumber=43&k2dockey=1512368@ieeejrns&query=%28heitzinger+%3Cin%3E+metadata%29+%3Cand%3E+%2843+%3Cin%3E+punumber%29&pos=1},
  PDF = {http://ieeexplore.ieee.org/iel5/43/32384/01512368.pdf?tp=&isnumber=32384&arnumber=1512368&punumber=%3Cb%3E%3Cfont%20color=990000%3E43%3C/font%3E%3C/b%3E},
  ABSTRACT = {The quality of the numeric approximation of the partial
                  differential equations governing carrier transport
                  in semiconductor devices depends particularly on the
                  grid. The method of choice is to use structurally
                  aligned grids since the regions and directions
                  therein that determine device behavior are usually
                  straightforward to find as they depend on the
                  distribution of doping. Here, the authors present an
                  algorithm for generating structurally aligned grids
                  including anisotropy with resolutions varying over
                  several orders of magnitude. The algorithm is based
                  on a level set approach and permits to define the
                  refined resolutions in a flexible manner as a
                  function of doping. Furthermore, criteria on grid
                  quality can be enforced. In order to show the
                  practicability of this method, the authors study the
                  examples of a trench gate metal-oxide-semiconductor
                  field-effect transistor (TMOSFET) and a radio
                  frequency silicon-on-insulator lateral double
                  diffused metal-oxide-semiconductor (RF SOI LDMOS)
                  power device using the device simulator MINIMOS NT,
                  where simulations are performed on a grid generated
                  by the new algorithm. In order to resolve the
                  interesting regions of the TMOSFET and the RF SOI
                  LDMOS power device accurately, several regions of
                  refinement were defined where the grid was grown
                  with varying resolutions.}
}

@ARTICLE{vasileska2005quantum,
  AUTHOR = {Dragica Vasileska AND Hasanur Khan AND Shaikh Ahmed AND Christian Ringhofer AND Clemens Heitzinger},
  TITLE = {Quantum and {Coulomb} Effects in Nanodevices},
  JOURNAL = {International Journal of Nanoscience},
  VOLUME = 4,
  NUMBER = 3,
  PAGES = {305-361},
  MONTH = JUN,
  YEAR = 2005,
  URL = {http://www.worldscinet.com/ijn/04/0403/S0219581X05003164.html},
  PDF = {http://www.worldscinet.com/ijn/04/preserved-docs/0403/S0219581X05003164.pdf},
  ABSTRACT = {In state-of-the-art devices, it is well known that quantum
                  and Coulomb effects play significant role on the
                  device operation. In this paper, we demonstrate that
                  a novel effective potential approach in conjunction
                  with a Monte Carlo device simulation scheme can
                  accurately capture the quantum-mechanical size
                  quantization effects. We also demonstrate, via
                  proper treatment of the short-range Coulomb
                  interactions, that there will be significant
                  variation in device design parameters for devices
                  fabricated on the same chip due to the presence of
                  unintentional dopant atoms at random locations
                  within the channel.}
}

@ARTICLE{ahmed2005quantum,
  AUTHOR = {Shaikh Ahmed AND Dragica Vasileska AND Clemens Heitzinger AND Christian Ringhofer},
  TITLE = {Quantum Potential Approach to Modeling Nanoscale {MOSFETs}},
  JOURNAL = {Journal of Computational Electronics},
  VOLUME = 4,
  NUMBER = {1-2},
  PAGES = {57-61},
  YEAR = 2005,
  URL = {http://www.springerlink.com/content/q0745k8845157147/?p=3775349bb29e4462a47731b834eecf5b&pi=4},
  PDF = {http://www.springerlink.com/content/q0745k8845157147/fulltext.pdf},
  ABSTRACT = {We propose a novel parameter-free quantum potential scheme
                  for use in conjunction with particle-based
                  simulations. The method is based on a perturbation
                  theory around thermodynamic equilibrium and leads to
                  an effective potential scheme in which the size of
                  the electron depends upon its energy. The approach
                  has been tested on the example of a MOS-capacitor by
                  retrieving the correct sheet electron density. It
                  has also been used in simulations of a 25 nm
                  n-channel nanoscale MOSFET with high substrate
                  doping density. We find that the use of the quantum
                  potential approach gives rise to a threshold voltage
                  shift of about 220 mV and drain current degradation
                  of about 30\%.}
}

@ARTICLE{khan2004modeling,
  AUTHOR = {Hasanur Khan AND Dragica Vasileska AND Shaikh Ahmed AND Christian Ringhofer AND Clemens Heitzinger},
  TITLE = {Modeling of {FinFET}: {3D} {MC} Simulation Using {FMM} and Unintentional Doping Effects on Device Operation},
  JOURNAL = {Journal of Computational Electronics},
  VOLUME = 3,
  NUMBER = {3-4},
  PAGES = {337-340},
  YEAR = 2004,
  URL = {http://www.springerlink.com/content/p187g1k0707k65t4/?p=3775349bb29e4462a47731b834eecf5b&pi=3},
  PDF = {http://www.springerlink.com/content/p187g1k0707k65t4/fulltext.pdf},
  ABSTRACT = {Novel device concepts such as dual gate SOI, Ultra thin body
                  SOI, FinFETs, etc., have emerged as a solution to
                  the ultimate scaling limits of conventional bulk
                  MOSFETs. These novel devices suppress some of the
                  Short Channel Effects (SCE) efficiently, but at the
                  same time more physics based modeling is required to
                  investigate device operation. In this paper, we use
                  semi-classical 3D Monte Carlo device simulator to
                  investigate important issues in the operation of
                  FinFETs. Fast Multipole Method (FMM) has been
                  integrated with the EMC scheme to replace the time
                  consuming Poisson equation solver. Effect of
                  unintentional doping for different device dimensions
                  has been investigated. Impurities at the source side
                  of the channel have most significant impact on the
                  device performance.}
}

@ARTICLE{holzer2004extraction,
  AUTHOR = {Stefan Holzer AND Rainer Minixhofer AND Clemens Heitzinger AND Johannes Fellner AND Tibor Grasser AND Siegfried Selberherr},
  TITLE = {Extraction of Material Parameters Based on Inverse Modeling of Three-Dimensional Interconnect Fusing Structures},
  JOURNAL = {Microelectronics Journal},
  VOLUME = 35,
  NUMBER = 10,
  PAGES = {805-810},
  YEAR = 2004,
  URL = {http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6V44-4CXTWXT-1&_user=103677&_coverDate=10%2F01%2F2004&_rdoc=5&_fmt=summary&_orig=browse&_srch=doc-info(%23toc%235748%232004%23999649989%23519251%23FLA%23display%23Volume)&_cdi=5748&_sort=d&_docanchor=&view=c&_ct=12&_acct=C000007978&_version=1&_urlVersion=0&_userid=103677&md5=50173218fbb91d7fffc427de2ce77c36},
  PDF = {http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6V44-4CXTWXT-1-K&_cdi=5748&_user=103677&_orig=browse&_coverDate=10%2F01%2F2004&_sk=999649989&view=c&wchp=dGLbVzb-zSkWA&md5=4c8af46a84181bb2cc4443bee0dda4bb&ie=/sdarticle.pdf},
  HTML = {http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6V44-4CXTWXT-1&_user=103677&_coverDate=10%2F01%2F2004&_rdoc=5&_fmt=full&_orig=browse&_srch=doc-info(%23toc%235748%232004%23999649989%23519251%23FLA%23display%23Volume)&_cdi=5748&_sort=d&_docanchor=&view=c&_ct=12&_acct=C000007978&_version=1&_urlVersion=0&_userid=103677&md5=62e230f1069b06e7f40ebc6a2a9eb884},
  ABSTRACT = {An approach for determining higher order coefficients of the
                  electrical and thermal conductivities for different
                  materials is presented. The method is based on
                  inverse modeling using three-dimensional transient
                  electrothermal finite element simulations for
                  electrothermal investigations of complex layered
                  structures, for instance polycrystalline silicon
                  (polysilicon) fuses or other multi-layered
                  devices. The simulations are performed with a
                  three-dimensional interconnect simulator, which is
                  automatically configured and controlled by an
                  optimization framework. Our method is intended to be
                  applied to optimize devices with different material
                  compositions and geometries as well as for achieving
                  an optimum of speed and reliability.}
}

@ARTICLE{heitzinger2004feature,
  AUTHOR = {Clemens Heitzinger AND Alireza Sheikholeslami AND Fuad Badrieh AND Helmut Puchner AND Siegfried Selberherr},
  TITLE = {Feature-Scale Process Simulation and Accurate Capacitance Extraction for the Backend of a 100-nm Aluminum/{TEOS} Process},
  JOURNAL = {IEEE Trans. Electron Devices},
  VOLUME = 51,
  NUMBER = 7,
  PAGES = {1129-1134},
  MONTH = JUL,
  YEAR = 2004,
  URL = {http://ieeexplore.ieee.org/search/srchabstract.jsp?arnumber=1308637&isnumber=29042&punumber=16&k2dockey=1308637@ieeejrns&query=%28%28heitzinger%29%3Cin%3Emetadata%29&pos=5},
  PDF = {http://ieeexplore.ieee.org/iel5/16/29042/01308637.pdf?tp=&isnumber=29042&arnumber=1308637&punumber=16},
  ABSTRACT = {One of the challenges that technology computer-aided design
                  must meet currently is the analysis of the
                  performance of groups of components, interconnects,
                  and, generally speaking, large parts of the IC. This
                  enables predictions that the simulation of single
                  components cannot achieve. In this paper, we focus
                  on the simulation of backend processes, interconnect
                  capacitances, and time delays. The simulation flows
                  start from the blank wafer surface and result in
                  device information for the circuit designer usable
                  from within SPICE. In order to join topography and
                  backend simulations, deposition, etching, and
                  chemical mechanical planarization processes in the
                  various metal lines are used to build up the backend
                  stack, starting from the flat wafer
                  surface. Depending on metal combination,
                  line-to-line space, and line width, thousands of
                  simulations are required whose results are stored in
                  a database. Finally, we present simulation results
                  for the backend of a 100-nm process, where the
                  influence of void formation between metal lines
                  profoundly impacts the performance of the whole
                  interconnect stack, consisting of aluminum metal
                  lines, and titanium nitride local
                  interconnects. Scanning electron microscope images
                  of test structures are compared to topography
                  simulations, and very good agreement is
                  found. Moreover, charge-based capacitance
                  measurements were carried out to validate the
                  capacitance extraction, and it was found that the
                  error is smaller than four percent. These
                  simulations assist the consistent fabrication of
                  voids, which is economically advantageous compared
                  to low-$\kappa$ materials, which suffer from
                  integration problems.}
}

@ARTICLE{heitzinger2004algorithm,
  AUTHOR = {Clemens Heitzinger AND Andreas Hössinger AND Siegfried Selberherr},
  TITLE = {An Algorithm for Smoothing Three-Dimensional {Monte Carlo} Ion Implantation Simulation Results},
  JOURNAL = {Mathematics and Computers in Simulation},
  VOLUME = 66,
  NUMBER = {2-3},
  PAGES = {219-230},
  MONTH = JUN,
  YEAR = 2004,
  URL = {http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6V0T-4BGW348-1&_user=103677&_coverDate=06%2F29%2F2004&_rdoc=10&_fmt=summary&_orig=browse&_srch=doc-info(%23toc%235655%232004%23999339997%23506199%23FLA%23display%23Volume)&_cdi=5655&_sort=d&_docanchor=&view=c&_ct=13&_acct=C000007978&_version=1&_urlVersion=0&_userid=103677&md5=8780e2ecc4ccb01edc1293ee0931056f},
  PDF = {http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6V0T-4BGW348-1-40&_cdi=5655&_user=103677&_orig=browse&_coverDate=06%2F29%2F2004&_sk=999339997&view=c&wchp=dGLbVzW-zSkzV&md5=36c6e1eb5522ca99e2cc94028e626a46&ie=/sdarticle.pdf},
  HTML = {http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6V0T-4BGW348-1&_user=103677&_coverDate=06%2F29%2F2004&_rdoc=10&_fmt=full&_orig=browse&_srch=doc-info(%23toc%235655%232004%23999339997%23506199%23FLA%23display%23Volume)&_cdi=5655&_sort=d&_docanchor=&view=c&_ct=13&_acct=C000007978&_version=1&_urlVersion=0&_userid=103677&md5=f4e4092bcdf02e85b59685c1aa560a92},
  ABSTRACT = {We present an algorithm for smoothing results of
                  three-dimensional Monte Carlo ion implantation
                  simulations and translating them from the grid used
                  for the Monte Carlo simulation to an arbitrary
                  unstructured three-dimensional grid. This algorithm
                  is important for joining various simulations of
                  semiconductor manufacturing process steps, where
                  data have to be smoothed or transferred from one
                  grid to another. Furthermore different grids must be
                  used since using ortho-grids is mandatory because of
                  performance reasons for certain Monte Carlo
                  simulation methods.  The algorithm is based on
                  approximations by generalized Bernstein
                  polynomials. This approach was put on a
                  mathematically sound basis by proving several
                  properties of these polynomials. It does not suffer
                  from the ill effects of least squares fits of
                  polynomials of fixed degree as known from the
                  popular response surface method.  The smoothing
                  algorithm which works very fast is described and in
                  order to show its applicability, the results of
                  smoothing a three-dimensional real world
                  implantation example are given and compared with
                  those of a least squares fit of a multivariate
                  polynomial of degree 2, which yielded unusable
                  results.}
}

@ARTICLE{binder2004study,
  AUTHOR = {Thomas Binder AND Clemens Heitzinger AND Siegfried Selberherr},
  TITLE = {A Study on Global and Local Optimization Techniques for {TCAD} Analysis Tasks},
  JOURNAL = {IEEE Trans. Computer-Aided Design of Integrated Circuits and Systems},
  VOLUME = 23,
  NUMBER = 6,
  PAGES = {814-822},
  MONTH = JUN,
  YEAR = 2004,
  URL = {http://ieeexplore.ieee.org/search/srchabstract.jsp?arnumber=1302183&isnumber=28935&punumber=43&k2dockey=1302183@ieeejrns&query=%28heitzinger+%3Cin%3E+metadata%29+%3Cand%3E+%2843+%3Cin%3E+punumber%29&pos=4},
  PDF = {http://ieeexplore.ieee.org/iel5/43/28935/01302183.pdf?tp=&isnumber=28935&arnumber=1302183&punumber=%3Cb%3E%3Cfont%20color=990000%3E43%3C/font%3E%3C/b%3E},
  ABSTRACT = {We evaluate optimization techniques to reduce the necessary
                  user interaction for inverse modeling applications
                  as they are used in the technology computer-aided
                  design field. Four optimization strategies are
                  compared. Two well-known global optimization
                  methods, simulated annealing and genetic
                  optimization, a local gradient-based optimization
                  strategy, and a combination of a local and a global
                  method. We rate the applicability of each method in
                  terms of the minimal achievable target value for a
                  given number of simulation runs and in terms of the
                  fastest convergence. A brief overview over the three
                  used optimization algorithms is given. The
                  optimization framework that is used to distribute
                  the workload over a cluster of workstations is
                  described. The actual comparison is achieved by
                  means of an inverse modeling application that is
                  performed for various settings of the optimization
                  algorithms. All presented optimization algorithms
                  are capable of evaluating several targets in
                  parallel. The best optimization strategy that is
                  found is used in the calibration of a model for
                  silicon self-interstitial cluster formation and
                  dissolution.}
}

@ARTICLE{heitzinger2004note,
  AUTHOR = {Clemens Heitzinger AND Christian Ringhofer},
  TITLE = {A Note on the Symplectic Integration of the Nonlinear {Schrödinger} Equation},
  JOURNAL = {Journal of Computational Electronics},
  VOLUME = 3,
  NUMBER = 1,
  PAGES = {33-44},
  YEAR = 2004,
  URL = {http://www.springerlink.com/content/h4463821jm220u5t/?p=3775349bb29e4462a47731b834eecf5b&pi=1},
  PDF = {http://www.springerlink.com/content/h4463821jm220u5t/fulltext.pdf},
  ABSTRACT = {Numerically solving the nonlinear Schrödinger equation and
                  being able to treat arbitrary space dependent
                  potentials permits many application in the realm of
                  quantum mechanics. The long-term stability of a
                  numerical method and its conservation properties is
                  an important feature since it assures that the
                  underlying physics of the solution are respected and
                  it ensures that the numerical result is correct also
                  for small time spans. In this paper we describe
                  symplectic integrators for the nonlinear Schrödinger
                  equation with arbitrary potentials and perform
                  numerical experiments comparing different approaches
                  and highlighting their respective advantages and
                  disadvantages.}
}

@ARTICLE{heitzinger2004formation,
  AUTHOR = {Clemens Heitzinger AND Siegfried Selberherr},
  TITLE = {On the Simulation of the Formation and Dissolution of Silicon Self-Interstitial Clusters and the Corresponding Inverse Modeling Problem},
  JOURNAL = {Microelectronics Journal},
  VOLUME = 35,
  NUMBER = 2,
  PAGES = {167-171},
  MONTH = FEB,
  YEAR = 2004,
  URL = {http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6V44-49XPJ15-1&_user=103677&_coverDate=02%2F29%2F2004&_rdoc=9&_fmt=summary&_orig=browse&_srch=doc-info(%23toc%235748%232004%23999649997%23475108%23FLA%23display%23Volume)&_cdi=5748&_sort=d&_docanchor=&view=c&_ct=16&_acct=C000007978&_version=1&_urlVersion=0&_userid=103677&md5=39083ba6722ea306c8cb62ad73740772},
  PDF = {http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6V44-49XPJ15-1-33&_cdi=5748&_user=103677&_orig=browse&_coverDate=02%2F29%2F2004&_sk=999649997&view=c&wchp=dGLbVzb-zSkzk&md5=3204cfc96191be632aed663d9be92d6d&ie=/sdarticle.pdf},
  HTML = {http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6V44-49XPJ15-1&_user=103677&_coverDate=02%2F29%2F2004&_rdoc=9&_fmt=full&_orig=browse&_srch=doc-info(%23toc%235748%232004%23999649997%23475108%23FLA%23display%23Volume)&_cdi=5748&_sort=d&_docanchor=&view=c&_ct=16&_acct=C000007978&_version=1&_urlVersion=0&_userid=103677&md5=0a7c1dc34660e04844934633e3ddfb52},
  ABSTRACT = {The formation and dissolution of silicon self-interstitial
                  clusters is linked to the phenomenon of
                  transient-enhanced diffusion (TED) which in turn has
                  gained importance in the manufacturing of
                  semiconductor devices. Based on theoretical
                  considerations and measurements of the number of
                  self-interstitial clusters during a thermal step, a
                  model for the formation and dissolution of
                  self-interstitial clusters is presented including
                  the adjusted model parameters for two different
                  technologies (i.e. material parameter sets). In
                  order to automate the inverse modeling part, a
                  general optimization framework was used. In addition
                  to solving this problem, the same setup can solve a
                  wide range of inverse modeling problems occurring in
                  the domain of process simulation. Finally, the
                  results are discussed and compared with a previous
                  model.}
}

@ARTICLE{heitzinger2003smoothing,
  AUTHOR = {Clemens Heitzinger AND Andreas Hössinger AND Siegfried Selberherr},
  TITLE = {On Smoothing Three-Dimensional {Monte Carlo} Ion Implantation Simulation Results},
  JOURNAL = {IEEE Trans. Computer-Aided Design of Integrated Circuits and Systems},
  VOLUME = 22,
  NUMBER = 7,
  PAGES = {879-883},
  MONTH = JUL,
  YEAR = 2003,
  URL = {http://ieeexplore.ieee.org/search/srchabstract.jsp?arnumber=1208447&isnumber=27194&punumber=43&k2dockey=1208447@ieeejrns&query=%28heitzinger+%3Cin%3E+metadata%29+%3Cand%3E+%2843+%3Cin%3E+punumber%29&pos=2},
  PDF = {http://ieeexplore.ieee.org/iel5/43/27194/01208447.pdf?tp=&isnumber=27194&arnumber=1208447&punumber=%3Cb%3E%3Cfont%20color=990000%3E43%3C/font%3E%3C/b%3E},
  ABSTRACT = {An algorithm for smoothing results of three-dimensional
                  (3-D) Monte Carlo ion implantation simulations and
                  translating them from the grid used for the Monte
                  Carlo simulation to an arbitrary unstructured 3-D
                  grid is presented. This algorithm is important for
                  joining various process simulation steps, where data
                  have to be smoothed or transferred from one grid to
                  another. Furthermore, it is important for
                  integrating the ion implantation simulator into a
                  process flow. One reason for using different grids
                  is that for certain Monte Carlo simulation methods,
                  using orthogrids is mandatory because of performance
                  reasons.

                  The algorithm presented sweeps a small
                  rectangular grid over the points of the new
                  tetrahedral grid and uses approximation by
                  generalized Bernstein polynomials. This approach was
                  put on a mathematically sound basis by proving
                  several properties of these polynomials. It does not
                  suffer from the adverse effects of least squares
                  fits of polynomials of fixed degree as known from
                  the response surface method.

                  The most important
                  properties of Bernstein polynomials generalized to
                  cuboid domains are presented, including uniform
                  convergence, an asymptotic formula, and the
                  variation diminishing property. The smoothing
                  algorithm which works very fast is described and, in
                  order to show its applicability, the resulting
                  values of a 3-D real world implantation example are
                  given and compared with those of a least squares fit
                  of a multivariate polynomial of degree two, which
                  yielded unusable results.}
}

@ARTICLE{heitzinger2003simulation,
  AUTHOR = {Clemens Heitzinger AND Wolfgang Pyka AND Naoki Tamaoki AND Toshiro Takase AND Toshimitsu Ohmine AND Siegfried Selberherr},
  TITLE = {Simulation of Arsenic In-Situ Doping with Poly-Silicon {CVD} and its Application to High Aspect Ratio Trenches},
  JOURNAL = {IEEE Trans. Computer-Aided Design of Integrated Circuits and Systems},
  VOLUME = 22,
  NUMBER = 3,
  PAGES = {285-292},
  MONTH = MAR,
  YEAR = 2003,
  URL = {http://ieeexplore.ieee.org/search/srchabstract.jsp?arnumber=1182073&isnumber=26533&punumber=43&k2dockey=1182073@ieeejrns&query=%28heitzinger+%3Cin%3E+metadata%29+%3Cand%3E+%2843+%3Cin%3E+punumber%29&pos=3},
  PDF = {http://ieeexplore.ieee.org/iel5/43/26533/01182073.pdf?tp=&isnumber=26533&arnumber=1182073&punumber=%3Cb%3E%3Cfont%20color=990000%3E43%3C/font%3E%3C/b%3E},
  ABSTRACT = {Filling high aspect ratio trenches is an essential
                  manufacturing step for state of the art memory
                  cells. Understanding and simulating the transport
                  and surface processes enables to achieve voidless
                  filling of deep trenches, to predict the resulting
                  profiles, and thus to optimize the process
                  parameters and the resulting memory cells.

                  Experiments of arsenic doped polysilicon deposition
                  show that under certain process conditions step
                  coverages greater than unity can be achieved. We
                  developed a new model for the simulation of arsenic
                  doped polysilicon deposition, which takes into
                  account surface coverage dependent sticking
                  coefficients and surface coverage dependent arsenic
                  incorporation and desorption rates. The additional
                  introduction of Langmuir--Hinshelwood type time
                  dependent surface coverage enabled the reproduction
                  of the bottom up filling of the trenches in
                  simulations. Additionally, the rigorous treatment of
                  the time dependent surface coverage allows to trace
                  the in situ doping of the deposited film.

                  The model
                  presented was implemented and simulations were
                  carried out for different process parameters. Very
                  good agreement with experimental data was achieved
                  with theoretically deduced parameters. Simulation
                  results are shown and discussed for polysilicon
                  deposition into 0.1$\mu$m wide and 7$\mu$m deep,
                  high aspect ratio trenches.}
}

@ARTICLE{grasser2002characterization,
  AUTHOR = {Tibor Grasser AND Hans Kosina AND Clemens Heitzinger AND Siegfried Selberherr},
  TITLE = {Characterization of the Hot Electron Distribution Function Using Six Moments},
  JOURNAL = {J. Appl. Phys.},
  VOLUME = 91,
  NUMBER = 6,
  PAGES = {3869-3879},
  YEAR = 2002,
  URL = {http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=JAPIAU000091000006003869000001&idtype=cvips&gifs=yes},
  PDF = {http://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JAPIAU000091000006003869000001&idtype=cvips&prog=normal},
  HTML = {http://scitation.aip.org/journals/doc/JAPIAU-ft/vol_91/iss_6/3869_1.html},
  ABSTRACT = {The shape of the hot electron distribution function in
                  semiconductor devices is insufficiently described
                  using only the first four moments. We propose using
                  six moments of the distribution function to obtain a
                  more accurate description of hot carrier
                  phenomena. An analytic expression for the symmetric
                  part of the distribution function as a function of
                  the even moments is given which shows good agreement
                  with Monte Carlo data for both the bulk case and
                  inside n$^+$-n-n$^+$ test structures. The influence
                  of the band structure on the parameters of the
                  distribution function is studied and proven to be of
                  importance for an accurate description.}
}

@ARTICLE{heitzinger2002extensible,
  AUTHOR = {Clemens Heitzinger AND Siegfried Selberherr},
  TITLE = {An Extensible {TCAD} Optimization Framework Combining Gradient Based and Genetic Optimizers},
  JOURNAL = {Microelectronics Journal (Design, Modeling and Simulation in Microelectronics and {MEMS}; Smart Electronics and {MEMS})},
  YEAR = 2002,
  VOLUME = 33,
  NUMBER = {1-2},
  PAGES = {61-68},
  URL = {http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6V44-44RNMMN-9&_user=103677&_coverDate=01%2F02%2F2002&_rdoc=9&_fmt=summary&_orig=browse&_srch=doc-info(%23toc%235748%232002%23999669998%23279355%23FLA%23display%23Volume)&_cdi=5748&_sort=d&_docanchor=&view=c&_ct=21&_acct=C000007978&_version=1&_urlVersion=0&_userid=103677&md5=c4fe291cc7b11174beac29f24f4f42a3},
  PDF = {http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6V44-44RNMMN-9-10&_cdi=5748&_user=103677&_orig=browse&_coverDate=01%2F02%2F2002&_sk=999669998&view=c&wchp=dGLbVtb-zSkzk&md5=455e6caec00f729b76c54e716bdecf40&ie=/sdarticle.pdf},
  HTML = {http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6V44-44RNMMN-9&_user=103677&_coverDate=01%2F02%2F2002&_rdoc=9&_fmt=full&_orig=browse&_srch=doc-info(%23toc%235748%232002%23999669998%23279355%23FLA%23display%23Volume)&_cdi=5748&_sort=d&_docanchor=&view=c&_ct=21&_acct=C000007978&_version=1&_urlVersion=0&_userid=103677&md5=4d1c918839690f0c4321db0eff56a409},
  ABSTRACT = {The SIESTA framework is an extensible tool for optimization
                  and inverse modeling of semiconductor devices
                  including dynamic load balancing for taking
                  advantage of several, loosely connected
                  workstations. Two gradient-based and two
                  evolutionary computation optimizers are currently
                  available through a uniform interface and can be
                  combined at will. At a real world inverse modeling
                  example, we demonstrate that evolutionary
                  computation optimizers provide several advantages
                  over gradient-based optimizers, due to the specific
                  properties of the objective functions in TCAD
                  applications. Furthermore, we shortly discuss some
                  issues arising in inverse modeling and conclude with
                  a comparison of gradient-based and evolutionary
                  computation optimizers from a TCAD point of view.}
}

@ARTICLE{grasser2002accurate,
  AUTHOR = {Tibor Grasser AND Hans Kosina AND Clemens Heitzinger AND Siegfried Selberherr},
  TITLE = {An Accurate Impact Ionization Model which Accounts for Hot and Cold Carrier Populations},
  JOURNAL = {Appl. Phys. Lett.},
  VOLUME = 80,
  NUMBER = 4,
  MONTH = JAN,
  PAGES = {613-615},
  YEAR = 2002,
  URL = {http://scitation.aip.org/getabs/servlet/GetabsServlet?prog=normal&id=APPLAB000080000004000613000001&idtype=cvips&gifs=yes},
  PDF = {http://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APPLAB000080000004000613000001&idtype=cvips&prog=normal},
  HTML = {http://scitation.aip.org/journals/doc/APPLAB-ft/vol_80/iss_4/613_1.html},
  ABSTRACT = {Conventional macroscopic impact ionization models which use
                  the average carrier energy as a main parameter can
                  not accurately describe the phenomenon in modern
                  miniaturized devices. Here, we present a model which
                  is based on an analytic expression for the
                  distribution function. In particular, the
                  distribution function model accounts explicitly for
                  a hot and a cold carrier population in the drain
                  region of metal-oxide-semiconductor
                  transistors. The parameters are determined by
                  three-even moments obtained from a solution of a
                  six-moments transport model. Together with a
                  nonparabolic description of the density of states,
                  accurate closed form macroscopic impact ionization
                  models can be derived based on familiar microscopic
                  descriptions.}
}


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