http://www.merlot.org:80/merlot/ A search of MERLOT materials Copyright 1997-2013 MERLOT. All rights reserved. Tue, 18 Jun 2013 21:05:18 PDT Tue, 18 Jun 2013 21:05:18 PDT http://www.merlot.org:80/merlot/images/merlot.gif http://www.merlot.org:80/merlot/ 44 34 http://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. http://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). http://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. http://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. http://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. http://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. http://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. http://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. http://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. 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: electrostatic (Poisson equation)drift-diffusion (including carrier continuity equations)energy balance (including carrier temperature)electrothermal (including lattice heating) http://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.