Tags: tight-binding

Description

In solid-state physics, the tight binding model is an approach to the calculation of electronic band structure using an approximate set of wave functions based upon superposition of wave functions for isolated atoms located at each atomic site. The method is closely related to the linear combination of atomic orbitals molecular orbital method used for molecules. Tight binding calculates the ground state electronic energy and position of band gaps for a molecule.

Learn more about quantum dots from the many resources on this site, listed below. More information on Tight binding can be found here.

All Categories (1-20 of 34)

  1. 1D Heterostructure Tool

    04 Aug 2008 | | Contributor(s):: Arun Goud Akkala, Sebastian Steiger, Jean Michel D Sellier, Sunhee Lee, Michael Povolotskyi, Tillmann Christoph Kubis, Hong-Hyun Park, Samarth Agarwal, Gerhard Klimeck, James Fonseca, Archana Tankasala, Kuang-Chung Wang, Chin-Yi Chen, Fan Chen

    Poisson-Schrödinger Solver for 1D Heterostructures

  2. ABACUS Exercise: Bandstructure – Kronig-Penney Model and Tight-Binding Exercise

    20 Jul 2010 | | Contributor(s):: Dragica Vasileska, Gerhard Klimeck

    The objective of this exercise is to start with the simple Kronig-Penney model and understand formations of bands and gaps in the dispersion relation that describes the motion of carriers in 1D periodic potentials. The second exercise examines the behavior of the bands at the Brillouin zone...

  3. ABACUS—Introduction to Semiconductor Devices

    When we hear the term semiconductor device, we may think first of the transistors in PCs or video game consoles, but transistors are the basic component in all of the electronic devices we use in...

    http://nanohub.org/wiki/EduSemiconductor

  4. Atomistic Electronic Structure Calculations of Unstrained Alloyed Systems Consisting of a Million Atoms

    14 Jan 2008 | | Contributor(s):: Gerhard Klimeck, Timothy Boykin

    The broadening of the conduction and valence band edges due to compositional disorder in alloyed materials of finite extent is studied using an s p3 s ∗ tight binding model. Two sources of broadening due to configuration and concentration disorder are identified. The concentrational disorder...

  5. Band Structure Lab Demonstration: Bulk Strain

    03 Jun 2009 | | Contributor(s):: Gerhard Klimeck

    This video shows an electronic structure calculation of bulk Si using Band Structure Lab. Several powerful features of this tool are demonstrated.

  6. Bismide Semiconductors: Revolutionising Telecom Lasers

    16 Oct 2015 | | Contributor(s):: Muhammad Usman, Christopher A Broderick, Eoin P O\'reilly

    Today’s telecomm lasers are plagued with Auger-related losses, which significantly reduce their efficiency and make device cooling essential. We are proposing a radical change in the laser technology by developing a new class of materials, bismide semiconductors. These novel nanomaterials...

  7. Carbon nanotube bandstructure

    09 Apr 2010 | | Contributor(s):: Saumitra Raj Mehrotra, Gerhard Klimeck

    Carbon nanotubes are allotropes of carbon with a cylindrical nanostructure, and can be categorized into single-walled nanotubes (SWNT) and multi-walled nanotubes (MWNT). These cylindrical carbon molecules have novel properties that make them potentially useful in many nanotechnology...

  8. CGTB

    15 Jun 2006 | | Contributor(s):: Gang Li, yang xu, Narayan Aluru

    Compute the charge density distribution and potential variation inside a MOS structure by using a coarse-grained tight binding model

  9. Computational Nanoscience, Lecture 17: Tight-Binding, and Moving Towards Density Functional Theory

    21 Mar 2008 | | Contributor(s):: Elif Ertekin, Jeffrey C Grossman

    The purpose of this lecture is to illustrate the application of the Tight-Binding method to a simple system and then to introduce the concept of Density Functional Theory. The motivation to mapping from a wavefunction to a density-based description of atomic systems is provided, and the...

  10. Density Functional Tight Binding (DFTB) Modeling in the Context of Ultra-Thin Silicon-on-Insulator MOSFETs

    07 Oct 2015 | | Contributor(s):: Stanislav Markov

    IWCE 2015 presentation. We investigate the applicability of density functional tight binding (DFTB) theory [1][2], coupled to non-equilibrium Green functions (NEGF), for atomistic simulations of ultra-scaled electron devices, using the DFTB+ code [3][4]. In the context of ultra-thin...

  11. Gerhard Klimeck

    ShortGerhard Klimeck is an Electrical and Computer Engineering faculty at Purdue University and leads two research centers in Purdue's Discovery Park. He helped to create nanoHUB.org which now...

    http://nanohub.org/members/3482

  12. High Precision Quantum Control of Single Donor Spins in Silicon

    14 Jan 2008 | | Contributor(s):: Rajib Rahman, marta prada, Gerhard Klimeck, Lloyd Hollenberg

    The Stark shift of the hyperfine coupling constant is investigated for a P donor in Si far below the ionization regime in the presence of interfaces using tight-binding and band minima basis approaches and compared to the recent precision measurements. In contrast with previous effective...

  13. Lecture 2: Graphene Fundamentals

    17 Sep 2009 | | Contributor(s):: Supriyo Datta

  14. Mahesh R Neupane

    Though Mahesh hails from Nepal, he graduated with a Bachelors of Engineering (BE)degree in Computer Science from University of Madras, India, in 2003. In 2005, he received a MS degree in Computer...

    http://nanohub.org/members/38579

  15. Nanoelectronic Modeling Lecture 25b: NEMO1D - Hole Bandstructure in Quantum Wells and Hole Transport in RTDs

    02 Mar 2010 | | Contributor(s):: Gerhard Klimeck

    Heterostructures such as resonant tunneling diodes, quantum well photodetectors and lasers, and cascade lasers break the symmetry of the crystalline lattice. Such break in lattice symmetry causes a strong interaction of heavy-, light- and split-off hole bands. The bandstructure of holes and the...

  16. Nanoelectronic Modeling Lecture 28: Introduction to Quantum Dots and Modeling Needs/Requirements

    02 Mar 2010 | | Contributor(s):: Gerhard Klimeck

    This presentation provides a very high level software overview of NEMO1D.Learning Objectives:This lecture provides a very high level overview of quantum dots. The main issues and questions that are addressed are:Length scale of quantum dotsDefinition of a quantum dotQuantum dot examples and...

  17. Nanoelectronic Modeling Lecture 29: Introduction to the NEMO3D Tool

    02 Mar 2010 | | Contributor(s):: Gerhard Klimeck

    This presentation provides a very high level software overview of NEMO3D. The items discussed are:Modeling Agenda and MotivationTight-Binding Motivation and basic formula expressionsTight binding representation of strainSoftware structureNEMO3D algorithm flow NEMO3D parallelization scheme –...

  18. Nanoelectronic Modeling Lecture 32: Strain Layer Design through Quantum Dot TCAD

    07 Jul 2010 | | Contributor(s):: Gerhard Klimeck, Muhammad Usman

    This presentation demonstrates the utilization of NEMO3D to understand complex experimental data of embedded InAs quantum dots that are selectively overgrown with a strain reducing InGaAs layer. Different alloy concentrations of the strain layer tune the optical emission and absorption...

  19. Nanoelectronic Modeling Lecture 40: Performance Limitations of Graphene Nanoribbon Tunneling FETS due to Line Edge Roughness

    08 Jul 2010 | | Contributor(s):: Gerhard Klimeck, Mathieu Luisier

    This presentation the effects of line edge roughness on graphene nano ribbon (GNR) transitors..Learning Objectives:GNR TFET Simulation pz Tight-Binding Orbital Model 3D Schrödinger-Poisson Solver Device Simulation Structure Optimization (Doping, Lg, VDD) LER => Localized Band Gap States LER =>...

  20. OMEN Nanowire

    02 Sep 2008 | | Contributor(s):: SungGeun Kim, Mathieu Luisier, Benjamin P Haley, Abhijeet Paul, Saumitra Raj Mehrotra, Gerhard Klimeck, Hesameddin Ilatikhameneh

    Full-band 3D quantum transport simulation in nanowire structure