Tags: tight-binding

More tags

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 40)

  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 Bandstructure Models (Spring 2022)

    04 May 2022 | | Contributor(s):: Gerhard Klimeck

    In the third session, Dr. Klimeck will give a brief overview of ABACUS and demonstrate several bandstructure tools. With these, students can explore the Standard Periodic Potential aka Kronig-Penney model as well as bandstructure formation by transmission through finite barriers....

  3. ABACUS Bandstructure Models (Winter 2021)

    08 Dec 2021 | | Contributor(s):: Gerhard Klimeck

    In the third session, Dr. Klimeck will give a brief overview of ABACUS and demonstrate several bandstructure tools. With these, students can explore the Standard Periodic Potential aka Kronig-Penney model as well as bandstructure formation by transmission through finite barriers...

  4. 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...

  5. ABACUS Tool Suite and Bandstructure and Band Models (Fall 2023)

    22 Aug 2023 | | Contributor(s):: Gerhard Klimeck

    In the third session, Dr. Klimeck will give a brief overview of ABACUS and demonstrate several bandstructure tools. With these, students can explore the Standard Periodic Potential aka Kronig-Penney model as well as bandstructure formation by transmission through finite barriers....

  6. 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...

    https://nanohub.org/wiki/EduSemiconductor2

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

    out of 5 stars 

    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...

  8. Band Structure Lab Demonstration: Bulk Strain

    out of 5 stars 

    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.

  9. Bandgap Manipulation of Armchair Graphene nanoribbon

    01 Sep 2020 | | Contributor(s):: Lance Fernandes

    Bandgap Manipulation is very important for various applications. Optical Devices need smaller Bandgap where as Diode's need larger Bandgap. Armchair graphene Nanoribbon (AGNR) has a special property where if the numbers of atoms are multiple of three or multiple of three plus one, they are...

  10. Bismide Semiconductors: Revolutionising Telecom Lasers

    19 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...

  11. Carbon nanotube bandstructure

    22 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 applications,...

  12. 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

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

    out of 5 stars 

    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 necessary...

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

    out of 5 stars 

    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...

  15. Dibya Prakash Rai

    https://nanohub.org/members/187116

  16. Genetic Algorithm Based Tight Binding Parameterisation

    08 Aug 2018 | | Contributor(s):: Samik Mukherjee

    This paper is a short description on how to use MATLAB genetic algorithm toolbox for generating tight binding parameters. A Hamiltonian is constructed and interfaced with MATLAB genetic algorithm for generating parameters that have been put in NEMO5 quantum transport software.

  17. Gerhard Klimeck

    Gerhard Klimeck is the Elmore Chaired Professor of Electrical and Computer Engineering at Purdue University and leads two research centers in Purdue's Discovery Park. He is also Vice President for...

    https://nanohub.org/members/3482

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

    out of 5 stars 

    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...

  19. Lecture 2: Graphene Fundamentals

    out of 5 stars 

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

  20. 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...

    https://nanohub.org/members/38579