Tags: tight-binding


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.

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Papers (1-5 of 5)

  1. 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.

  2. 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...

  3. 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...

  4. Valley splitting in strained silicon quantum wells modeled with 2 degree miscuts, step disorder, and alloy disorder

    14 Jan 2008 | | Contributor(s):: Neerav Kharche, marta prada, Timothy Boykin, Gerhard Klimeck

    Valley splitting (VS) in strained SiGe/Si/SiGe quantum wells grown on (001) and 2° miscut substrates is computed in a magnetic field. Calculations of flat structures significantly overestimate, while calculations of perfectly ordered structures underestimate experimentally observed VS. Step...

  5. 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...