MERLOT Materials
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MERLOT MaterialsCopyright (C) 2018 MERLOT Some Rights ReservedFri, 17 Feb 2006 08:00:00 GMTMERLOThttps://www.merlot.org/merlot/images/merlot_column.png
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-1-1QC Tool Information
https://www.merlot.org/merlot/viewMaterial.htm?id=86006
The aim of QC-Lab is to facilitate the elaboration and study of molecular theoretical models in Gas Phase and Solution. QC-Lab puts together the instructions in GAMESS language and automatically submits the job for execution. Once the task has been accomplished, QC-Lab retrieves the data where a variety of molecular properties may be read from: Optimum molecular structure, atomic charge distribution, dipole moment, thermodynamic state functions, etc.Fri, 17 Feb 2006 08:00:00 GMTBaudilio Tejerina Northwestern UniversityCENEMS Tool Information
https://www.merlot.org/merlot/viewMaterial.htm?id=86003
CENEMS is an user-friendly tool that computes the surface charge density distribution on the surface of the conductors in a multiconductor system. CENEMS contains a graphical user interface which allow users to design multi-conductor systems, including drawing conductors, specifing applied voltage and discretization level (the higher the level, the finer the discretization) for the conductors. After running the simulation, user can immediately see the surface charge density distribution on the conductors. CENEMS solves the exterior potential problem and computes the surface charge density by using boundary integral equations and a Boundary Cloud Method (BCM).Fri, 17 Feb 2006 08:00:00 GMTNarayan Aluru; Gang Li University of Illinois, Urbana-Champaign; University of Illinois, Urbana-ChampaignCNTbands Tool Information
https://www.merlot.org/merlot/viewMaterial.htm?id=85527
CNTbands is a Matlab script that computes E(k) and the density-of-states (DOS) vs. energy for a carbon nanotube specified by (n, m). It uses a simple model that treats the nanotube as a rolled up graphene sheet whose band structure is computed by a simple tight binding approach and assumes a single pi orbital per carbon atom. In addition to plotting E(k) and DOS(E), the script also computes some basic parameters of the nanotube such as diameter, number of hexagons in the unit cell, etc.Thu, 05 Jan 2006 08:00:00 GMTJing Guo; Akira Matsudaira University of Florida, Purdue University; University of Florida, Purdue UniversityFETToy Tool Information
https://www.merlot.org/merlot/viewMaterial.htm?id=85528
FETToy 2.0 is a set of Matlab scripts that calculate the ballistic I-V characteristics for a conventional MOSFETs, Nanowire MOSFETs and Carbon NanoTube MOSFETs. For conventional MOSFETs, FETToy assumes either a single or double gate geometry and for a nanowire and nanotube MOSFETs it assumes a cylindrical geometry. Only the lowest subband is considered, but it is readily modifiable to include multiple subbands.Thu, 05 Jan 2006 08:00:00 GMTMark Lundstrom; Supriyo Datta; Jing Guo; Anisur Rahman; Akira Matsudaira; Shaikh Ahmed Purdue University, University of Florida; Purdue University, University of Florida; Purdue University, University of Florida; Purdue University, University of Florida; Purdue University, University of Florida; Purdue University, University of FloridaMolCToy Tool Information
https://www.merlot.org/merlot/viewMaterial.htm?id=85529
Molecular Conduction (Toy) computes current-voltage (I-V) characteristics and conductance spectrum (G-V) of a molecule sandwiched between two metallic contacts one of which could be a scanning probe. This tool similar to Huckel-IV, but with a simplified, toy model. It reproduces much of the same physics, but with non-physical inputs. In particular, you specify the energy levels of a hypothetical molecule, the coupling between the molecule and the contacts, and an estimate of the single-electron charging energy for the molecule. Huckel-IV, on the other hand, takes the arrangement of atoms in a molecule and computes the other quantities directly from that.Thu, 05 Jan 2006 08:00:00 GMTMOSCap Tool Information
https://www.merlot.org/merlot/viewMaterial.htm?id=85530
Simulates the capacitance of bulk and dual gate capacitors for a variety of different device sizes, geometries, temperature and doping profiles. Enables the visualization of band edges, Fermi levels, electric fields etc as a function of bias. Simulates high and low frequency characteristics. MOSCAP is based on the Padre simulation tool.Thu, 05 Jan 2006 08:00:00 GMTShaikh Ahmed; Akira Matsudaira Purdue University; Purdue UniversityMOSFET Tool Information
https://www.merlot.org/merlot/viewMaterial.htm?id=85531
Simulates the capacitance of bulk and SOI Field Effect Transistors (FETs) for a variety of different device sizes, geometries, temperature and doping profiles. Enables the visualization of various device characteristics such as Id-Vd and Id-Vg. MOSFET lab is based on the Padre simulation tool.Thu, 05 Jan 2006 08:00:00 GMTMatteo Mannino; Shaikh Ahmed Purdue University; Purdue UniversityMSL Simulator Tool Information
https://www.merlot.org/merlot/viewMaterial.htm?id=85532
MSL Nanomaterials Simulator provides an easy-to-use interface for designing and analyzing electronic properties of different nano materials, including carbon nanotubes, nanowires, nano particles, fullerenes and in the future any other user-defined nano systems. You can generate atomic structure of nano materials and compute the corresponding electronic structure with just a few mouse clicks to study structure-property relation of the materials.Thu, 05 Jan 2006 08:00:00 GMTK. J. Cho Stanford UniversityPadre Tool Information
https://www.merlot.org/merlot/viewMaterial.htm?id=86004
PADRE is a 2D/3D simulator for electronic devices, such as MOSFET transistors. It can simulate physical structures of arbitrary geometry--including heterostructures--with arbitrary doping profiles, which can be obtained using analytical functions or directly from multidimensional process simulators such as Prophet. <br/> <br/>For each electrical bias, PADRE solves a coupled set of partial differential equations (PDEs). A variety of PDE systems are supported which form a hierarchy of accuracy: <br/> <br/>electrostatic (Poisson equation)<br/>drift-diffusion (including carrier continuity equations)<br/>energy balance (including carrier temperature)<br/>electrothermal (including lattice heating)Fri, 17 Feb 2006 08:00:00 GMTPN Junction Lab Tool Information
https://www.merlot.org/merlot/viewMaterial.htm?id=85533
PN Junction Lab - Everything you need to explore and teach the basic concepts of P-N junction devices. Edit the doping concentrations, change the materials, tweak minority carrier lifetimes, and modify the ambient temperature. Then, see the effects in the energy band diagram, carrier densities, net charge distribution, I/V characteristic, etc.Thu, 05 Jan 2006 08:00:00 GMTMatteo Mannino Purdue UniversityProphet Tool Information
https://www.merlot.org/merlot/viewMaterial.htm?id=86005
The PROPHET simulator is a framework to solve systems of partial differential equations (PDEs) in time and 1, 2, or 3 space dimensions. PDEs are discretized using either finite elements or finite volume methods in space and with implicit methods in time, which reduces the differential equations to a system of algebraic equations that are solved by Newton's method at each timestep. The matrix resulting from the linearization is solved by sparse iterative or direct methods. PROPHET is designed with the goals of: 1) efficiency, 2) geometric flexibility, and 3) equation extensibility. The first two characteristics distinguish PROPHET from packages such as MATLAB or Mathematica, which do not allow the use of arbitrary shapes or grids and are not tuned to solve systems with 100,000 or 1,000,000 unknowns. The third characteristic distinguishes it from application-specific simulators such as PISCES or SUPREM-4. It allows new equations to be specified by a user or model developer who may not be familiar with numerical methods.Fri, 17 Feb 2006 08:00:00 GMTQuantum Dot Lab
https://www.merlot.org/merlot/viewMaterial.htm?id=85534
Quantum dots can be produced in a variety of material systems and geometries. This simple educational tool simulates the particle in a box problem for a variety of geometries such as boxes, cylinders, pyramids, and ellipsoids. A simple single band effective mass model is employed and the simulations run interactively. 3-D visualization depicts the 3-D confined wavefunctions. Optical transitions are computed and sorted into dark and light lines. Absorption curves are computed for different polarizations and orientations. Parameters such as incident light angle and polarization, Fermi level, or temperature can be scanned to analyze the effect of 3-D geometries on anisotropic optical properties.Thu, 05 Jan 2006 08:00:00 GMTGerhard Klimeck; Michael McLennan; Matteo Mannino Purdue University; Purdue University; Purdue UniversityResonant Tunneling Diodes Tool Information
https://www.merlot.org/merlot/viewMaterial.htm?id=85535
Heterostructure devices have thin layers of alternating materials. Some layers act as barriers to electron flow, but if the layers are thin enough, electrons can "tunnel" through them.Â If two or more barriers are placed closely together, electrons can reflect between the barriers and resonate at particular energies, allowing complete transmission through the barriers, as if they were not there!Â This gives rise to negative differential resistance--current that goes down as voltage goes up--an interesting behavior that can be harnessed to form new devices. Use this tool to explore the effects of tunneling through one or more material layers.Â Change the doping density, material properties, and layer thicknesses, and examine transmission coefficients and current-voltage relationships.Thu, 05 Jan 2006 08:00:00 GMTMichael McLennan Purdue UniversitySchred Tool Information
https://www.merlot.org/merlot/viewMaterial.htm?id=85536
Schred 2.0 calculates the envelope wavefunctions and the corresponding bound-state energies in a typical MOS (Metal-Oxide-Semiconductor) or SOS (Semiconductor-Oxide- Semiconductor) structure and a typical SOI structure by solving self-consistently the one-dimensional (1D) Poisson equation and the 1D Schrodinger equation.Thu, 05 Jan 2006 08:00:00 GMTDragica Vasileska; Shaikh Ahmed; Matteo Mannino; Zhibin Ren Arizona State University, Purdue University; Arizona State University, Purdue University; Arizona State University, Purdue University; Arizona State University, Purdue UniversitySpice3F4 Tool Information
https://www.merlot.org/merlot/viewMaterial.htm?id=85537
SPICE is a general-purpose circuit simulation program for nonlinear dc, nonlinear transient, and linear ac analysis. It was developed at the University of California, Berkeley. Version 3F4 was released in 1993. Circuits may contain resistors, capacitors, inductors, mutual inductors, independent voltage and current sources, four types of dependent sources, transmission lines, and the four most common semiconductor devices: diodes, BJT's, JFET's, and MOSFET's. SPICE has built-in models for the semiconductor devices, and the user need specify only the pertinent model parameter values. Version 3F4 accepts input files which describe the circuit and desired analysis and produces ascii output.Thu, 05 Jan 2006 08:00:00 GMT