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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.
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...
Ripples and Warping of Graphene: A Theoretical Study
08 Jun 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...
Tight-Binding Band Structure Calculation Method
08 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.
InAs: Evolution of iso-energy surfaces for heavy, light, and split-off holes due to uniaxial strain.
25 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: , , Carrier type: LH, HH, SOHStrain...
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...
Empirical Pseudopotential Method: Theory and Implementation
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
13 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.
Nanotechnology Animation Gallery
22 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 available Featured nanoHUB tools: Band Structure Lab. Carrier...
Electronic band structure
12 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 relationship between the...
Nanoelectronic Modeling Lecture 25b: NEMO1D - Hole Bandstructure in Quantum Wells and Hole Transport in RTDs
09 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...
Nanoelectronic Modeling Lecture 26: NEMO1D -
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...
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....
nanoMATERIALS SeqQuest DFT
04 Feb 2008 | | Contributor(s):: Ravi Pramod Kumar Vedula, Greg Bechtol, Benjamin P Haley, Alejandro Strachan
DFT calculations of materials
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.
Nanoelectronic Modeling: Exercises 1-3 - Barrier Structures, RTDs, and Quantum Dots
27 Jan 2010 | | Contributor(s):: Gerhard Klimeck
Exercises:Barrier StructuresUses: Piece-Wise Constant Potential Barrier ToolResonant Tunneling DiodesUses: Resonant Tunneling Diode Simulation with NEGF • Hartree calculation • Thomas Fermi potentialQuantum DotsUses: Quantum Dot Lab • pyramidal dot
Nanoelectronic Modeling Lecture 14: Open 1D Systems - Formation of Bandstructure
25 Jan 2010 | | Contributor(s):: Gerhard Klimeck, Dragica Vasileska
The infinite periodic structure Kroenig Penney model is often used to introduce students to the concept of bandstructure formation. It is analytically solvable for linear potentials and shows critical elements of bandstructure formation such as core bands and different effective masses in...
Nanoelectronic Modeling Lecture 12: Open 1D Systems - Transmission through Double Barrier Structures - Resonant Tunneling
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.
Nanoelectronic Modeling Lecture 08: Introduction to Bandstructure Engineering II
30 Dec 2009 | | Contributor(s):: Gerhard Klimeck
This presentation provides a brief overview of the concepts of bandstructure engineering and its potential applications to light detectors, light emitters, and electron transport devices. Critical questions of the origin of bandstructure and its dependence on local atom arrangements are raised to...
Nanoelectronic Modeling Lecture 07: Introduction to Bandstructure Engineering I
This presentation serves as a reminder about basic quantum mechanical principles without any real math. The presentation reviews critical properties of classical systems that can be described as particles, propagating waves, standing waves, and chromatography.
Low Bias Transport in Graphene: An Introduction (lecture notes)
22 Sep 2009 | | Contributor(s):: Mark Lundstrom, tony low, Dionisis Berdebes
These notes complement a lecture with the same title presented by Mark Lundstrom and Dionisis Berdebes, at the NCN@Purdue Summer School, July 20-24, 2009.