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In solid-state physics, the electronic band structure of a solid describes ranges of energy that an electron is "forbidden" or "allowed" to have. It is a function of the diffraction of the quantum mechanical electron waves in the periodic crystal lattice with a specific crystal system and Bravais lattice. The band structure of a material determines several characteristics, in particular its electronic and optical properties. More information on Band structure can be found here.

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  1. Nanoelectronic Modeling Lecture 33: Alloy Disorder in Bulk

    04 Aug 2010 | | Contributor(s):: Gerhard Klimeck, Timothy Boykin, Chris Bowen

    This presentation discusses disorder in AlGaAs unstrained systems in bulk. Bandstructure of an ideal simple unit cellWhat happens when there is disorder?Concept of a supercellBand folding in a supercellBand extraction from the concept of approximate bandstructureComparison of alloy disorder with...

  2. Thermoelectric Nanotechnology

    27 Jul 2010 | | Contributor(s):: Mark Lundstrom

    his talk is an undergraduate level introduction to the field. After a brief discussion of applications, the physics of the Peltier effect is described, and the Figure of Merit (FOM), ZT, which controls the efficiency of a thermoelectric refrigerator or electric power generator, is discussed. The...

  3. 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...

  4. DFT calculations with Quantum ESPRESSO

    07 Jul 2010 | | Contributor(s):: Janam Jhaveri, Ravi Pramod Kumar Vedula, Alejandro Strachan, Benjamin P Haley

    DFT calculations of molecules and solids

  5. Nanoelectronic Modeling Lecture 25a: NEMO1D - Full Bandstructure Effects

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

    (quantitative RTD modeling at room temperature)

  6. Band Structure Lab Exercise

    28 Jun 2010 | | Contributor(s):: Gerhard Klimeck, Parijat Sengupta, Dragica Vasileska

    Investigations of the electron energy spectra of solids form one of the most active fields of research. Knowledge of band theory is essential for application to specific problems such as Gunn diodes, tunnel diodes, photo-detectors etc. There are several standard methods to compute the band...

  7. Ripples and Warping of Graphene: A Theoretical Study

    19 May 2010 | | Contributor(s):: Umesh V. Waghmare

    We use first-principles density functional theory based analysis to understand formation of ripples in graphene and related 2-D materials. For an infinite graphene, we show that ripples are linked with a low energy branch of phonons that exhibits quadratic dispersion at long wave-lengths. Many...

  8. Tight-Binding Band Structure Calculation Method

    02 Jun 2010 | | Contributor(s):: Dragica Vasileska, Gerhard Klimeck

    This set of slides describes on simple example of a 1D lattice, the basic idea behind the Tight-Binding Method for band structure calculation.

  9. InAs: Evolution of iso-energy surfaces for heavy, light, and split-off holes due to uniaxial strain.

    21 May 2010 | | Contributor(s):: Abhijeet Paul, Denis Areshkin, Gerhard Klimeck

    Movie was generated using Band Structure Lab tool at nanoHUB and allows to scan over four parameters:Hole energy measured from the top of the corresponding band (i.e. the origin of energy scales for LH and SOH is different)Strain direction: [001], [110], [111]Carrier type: LH, HH, SOHStrain...

  10. Band Structure Calculation: General Considerations

    17 May 2010 | | Contributor(s):: Dragica Vasileska

    This set of slides explains to the users the concept of valence vs. core electrons, the implications of the adiabatic approximation on the separation of the total Hamiltonian of the system and the mean-field approximation used in ab initio bandstructure approaches. It then gives systematic...

  11. Empirical Pseudopotential Method: Theory and Implementation

    16 May 2010 | | Contributor(s):: Dragica Vasileska

    This tutorial first teaches the users the basic theory behind the Empirical Pseudopotential (EPM)Bandstructure Calculation method. Next, the implementation details of the method are described and finally a MATLAB implementation of the EPM is provided.vasileska.faculty.asu.eduNSF

  12. ninithi

    07 May 2010 | | Contributor(s):: Chanaka Suranjith Rupasinghe, Mufthas Rasikim

    ninithi which is a free and opensource modelling software, can be used to visualize and analyze carbon allotropes used in nanotechnology. You can generate 3-D visualization of Carbon nanotubes, Fullerenes, Graphene and Carbon nanoribbons and analyze the band structures of nanotubes and graphene.

  13. Nanotechnology Animation Gallery

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

    Animations and visualization are generated with various nanoHUB.org tools to enable insight into nanotechnology and nanoscience. Click on image for detailed description and larger image download. Additional animations are also...

  14. Electronic band structure

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

    In solid-state physics, the electronic band structure (or simply band structure) of a solid describes ranges of energy in which an electron is "forbidden" or "allowed". The band structure is also often called the dispersion or the E(k) relationship. It is a mathematical...

  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 26: NEMO1D -

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

    NEMO1D demonstrated the first industrial strength implementation of NEGF into a simulator that quantitatively simulated resonant tunneling diodes. The development of efficient algorithms that simulate scattering from polar optical phonons, acoustic phonons, alloy disorder, and interface roughness...

  17. Bulk Bandstructure in MATLAB: Pseudopotential Method

    08 Feb 2010 | | Contributor(s):: Muhanad Zaki

    This code (MATLAB) readily calculates and plots the bandstructure of Silicon (bulk) using the empirical pseudopotential method.Detailed instructions are in the compressed archive.I hope it would be a useful/interesting educational toolNote: If you are running this code in a non-Windows OS (e.g....

  18. Tillmann Christoph Kubis

    https://nanohub.org/members/41945

  19. nanoMATERIALS SeqQuest DFT

    04 Feb 2008 | | Contributor(s):: Ravi Pramod Kumar Vedula, Greg Bechtol, Benjamin P Haley, Alejandro Strachan

    DFT calculations of materials

  20. Illinois ECE 440: Diffusion and Energy Band Diagram Homework

    27 Jan 2010 | | Contributor(s):: Mohamed Mohamed

    This homework covers Diffusion of Carriers, Built-in Fields and Metal semiconductor junctions.