Compute electronic and mechanical properties of materials from DFT calculations with 1-Click

mad-FET introduction The Field-Effect-Transistor has been proposed and implement in many physical systems, materials, and geometries. A multitude of acronyms have developed around these concepts. The “Many-Acronym-Device-FET” or “madFET” was born. The author of this document was able to trace an attribute to the acronym madFET from Bill Frensley to Herbert Kroemer. nanoHUB.org hosts a variety of tools that enable the simulation of field effect transisors for a variety of different geometries in a variety of different levels of approximations. This page provides an easier access to some of these tools. MOSfet Lab The MOSfet Lab tool enables a semi-classical analysis of current-voltage characteristics for bulk and SOI Field Effect Transistors (FETs) for a variety of different device sizes, geometries, temperature and doping profiles.

Exercises: MOSFET Exercise Exercise: Basic Operation of n-Channel SOI Device MOSFET – Theoretical Exercises MOSFET Operation Description

nanoMOS The nanoMOS tool enables a 2D simulation for thin body MOSFETs, with transport models ranging from drift-diffusion to quantum diffusive for a variety of different device sizes, geometries, temperature and doping profiles.

nanoFET The nanoFET simulates quantum ballistic transport properties in two-dimensional MOSFET devices for a variety of different device sizes, geometries, temperature and doping profiles.

FETtoy FETtoy 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, 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. Additional related documents are: FETToy Detailed Description, Theory of Ballistic Nanotransistors, Learning Module on FETToy, Homework Exercises for FETToy.

PADRE 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 . A variety of supplemental documents are available that deal with the PADRE software and TCAD simulation: User Guide Abbreviated First Time User Guide FAQ A set of course notes on Computational Electronics with detailed explanations on bandstructure, pseudopotentials, numerical issues, and drift diffusion. Introduction to DD Modeling with PADRE Description and Semiclassical Simulation With PADRE A Primer on Semiconductor Device Simulation (Seminar)

Exercises: BJT Problems and PADRE Exercise Introduction to DD Modeling with PADRE MOS Capacitors: Description and Semiclassical Simulation With PADRE

PROPHET PROPHET was originally developed for semiconductor process simulation. Device simulation capabilities are currently under development. PROPHET solves sets of partial differential equations in one, two, or three spatial dimensions. All model coefficients and material parameters are contained in a database library which can be modified or added to by the user. Even the equations to be solved can be specified by the end user. It is supported by an extensive set of User Guide pages and a seminar on Nano-Scale Device Simulations Using PROPHET.

2-D simulator for thin body (less than 5 nm), fully depleted, double-gated n-MOSFETs

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Visualize different crystal lattices and planes

Tinker with quantum transport models! Download the MATLAB scripts used to demonstrate the physics described in Supriyo Datta\‘s book Quantum Transport: Atom to Transistor. These simple models are less than a page of code, and yet they reproduce much of the fundamental physics observed in experiments.

this is the MATLAB code of the PCPBT in the effective mass approximation.

Slipchenko's J.Chem.Phys. 141,134119(2014)

This presentation shows that double barrier structures can show unity transmission for energies BELOW the barrier height, resulting in resonant tunneling. The resonance can be associated with a quasi bound state, and the bound state can be related to a simple particle in a box calculation.

www.eas.asu.edu/~vasileskNSF

A resonant tunneling diode (RTD) is a type of diode with a resonant tunneling structure that allows electrons to tunnel through various resonant states at certain energy levels. RTDs can be fabricated using many different types of materials (such as III-V, type IV, II-VI semiconductors) and different types of resonant tunneling structures (such as heavily doped pn junction in Esaki diodes, double barriers, triple barriers, quantum wells, quantum wires or quantum dots). …

In quantum mechanics, quantum tunnelling is a micro nanoscopic phenomenon in which a particle violates the principles of classical mechanics by penetrating a potential barrier or impedance higher than the kinetic energy of the particle. A barrier, in terms of quantum tunnelling, may be a form of energy state analogous to a “hill” or incline in classical mechanics, which classically suggests that passage through or over such a barrier would be impossible without sufficient energy. The two …

Hartree Fock (HF) theory is one of the basic theories underlying the current understanding of the electronic structure of materials. It is a simple non-relativistic treatment of many electron system that accounts for the antisymmetric (fermion) nature of electronic wavefunction but does not account for correlation effects. The matrix representation of this theory constitutes the Roothan Equations. This simple MATLAB Code uses the Roothan Equations, within Born Oppenheimer approximation and non-relativistic limit, to calculate the energy of H-H (two Hydrogen atoms) system with different bond lengths using Slater Type Orbital with 4 Gaussian basis functions (STO-4G) for each spatial orbital. It can be used as an example for a class on electronic structure theory or as a starting skeleton for developing more complex ab initio codes, that use a similar basis set.

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.

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By completing the Bound States Calculation Lab, users will be able to: a) understand the concept of bound states, b) the meaning of the eigenvalues and the eigenvectors, and c) the form of the eigenvalues and eigenvectors for rectangular, parabolic and triangular confinement.

The specific objectives of the Bound States Calculation Lab are:

Recommended Reading

Users who are new to the concept of bound states and solution of the Schrodinger equation for bound states should consult the following resource: 1. D. K. Ferry, Quantum Mechanics: An Introduction for Device Physicists and Electrical Engineers, Taylor & Francis. Theoretical descriptions

* Bound States Calculation Description (tutorial) * Bound States Calculation Lab – Fortran Code (source code dissemination) Exercises and Homework Assignments

1. Bound States Calculation: an Exercise 2. Quantum Bound States Exercise 3. AQME Exercise: Bound States – Theoretical Exercise Solutions to Exercises

Solutions are provided only to instructors! Evaluation

This test will assess the users conceptual understanding of the physical, mathematical and computational knowledge related to quantum bound states in different confining potentials that occur in real device structures. Test for Bound States Calculation Lab Challenge

Users are challenged to integrate what they have learned about Quantum Bound States. Solve a Challenge for the BSC Lab

The problems in this exercise use the Bound States Calculation Lab to calculate bound states in an infinite square well, finite square well and triangular potential. Students also have to compare simulated values with analytical results.

Dragica Vasileska: Lecture notes on Quantum Mechanics (www.eas.asu.edu/~vasilesk) NSF

bound states, open systems, transfer matrix approach, gate leakage calculation in Schottky gates

Exercise Background Quantum-mechanical systems (structures, devices) can be separated into open systems and closed systems. Open systems are characterized with propagating or current carrying states. Closed (or bound) systems are described with localized wave-functions. One such system is a triangular potential well in MOS capacitors; another one is rectangular quantum well in heterostructure devices. In addition to this, every observable in Quantum Mechanics (like position, momentum, energy) …