Computing: Difference between revisions
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* [http://www.physics.udel.edu/~bnikolic/teaching/phys824/MATLAB/visual_graphene_H.m visual_graphene_H.m] (For a given tight-binding Hamiltonian on the honeycomb lattice, function plots position of carbon atoms and draws blue lines to represent hoppings between them; red circles to represent on-site potential between them; and cyan lines to represent the periodic boundary conditions; it can be used to test if the tight-binding Hamiltonian of graphene is set correctly); This function calls another three function which should be placed in the same directory (or in the path): [http://www.physics.udel.edu/~bnikolic/teaching/phys824/MATLAB/atomCoord.m atomCoord.m], [http://www.physics.udel.edu/~bnikolic/teaching/phys824/MATLAB/atomPosition.m atomPosition.m], and [http://www.physics.udel.edu/~bnikolic/teaching/phys824/MATLAB/constrainView.m constrainView.m] | * [http://www.physics.udel.edu/~bnikolic/teaching/phys824/MATLAB/visual_graphene_H.m visual_graphene_H.m] (For a given tight-binding Hamiltonian on the honeycomb lattice, function plots position of carbon atoms and draws blue lines to represent hoppings between them; red circles to represent on-site potential between them; and cyan lines to represent the periodic boundary conditions; it can be used to test if the tight-binding Hamiltonian of graphene is set correctly); This function calls another three function which should be placed in the same directory (or in the path): [http://www.physics.udel.edu/~bnikolic/teaching/phys824/MATLAB/atomCoord.m atomCoord.m], [http://www.physics.udel.edu/~bnikolic/teaching/phys824/MATLAB/atomPosition.m atomPosition.m], and [http://www.physics.udel.edu/~bnikolic/teaching/phys824/MATLAB/constrainView.m constrainView.m] | ||
* [http://www.physics.udel.edu/~bnikolic/teaching/phys824/MATLAB/self_energy.m self_energy.m] (Self-energy of the semi-infinite ideal metallic lead modeled on the square tight-binding lattice - the code shows how to convert analytical formulas of the lead surface Green function into a working program) | * [http://www.physics.udel.edu/~bnikolic/teaching/phys824/MATLAB/self_energy.m self_energy.m] (Self-energy of the semi-infinite ideal metallic lead modeled on the square tight-binding lattice - the code shows how to convert analytical formulas of the lead surface Green function into a working program) | ||
== Density functional theory== | |||
=== Hands-on Lab Sessions === | |||
Revision as of 12:10, 29 August 2012
MATLAB
Hands-on Lab Sessions
- MATLAB: Getting Started
- MATLAB: Sparse Matrices
- MATLAB: FFT
- MATLAB Student Center
- Some Common MATLAB Programming Pitfalls and How to Avoid Them
Reference
Books and notes
- C. Moler: Numerical Computing with MATLAB (SIAM, Philadelphia, 2004). [PDF]
- UD Crash Course on Matlab
Implementation Tools
M-files
- electron_density.m (code for Problem 1 in Homework Set 1)
- disordered_nanowire.m (code for Problems 2 & 3 in Homework Set 2)
- dos_negf.m (code to compute the density of states of a nanowire using Green functions)
- graphene_dos.m (code to compute the density of states of graphene sheet using Green functions)
- qt_1d.m (code to compute the conductance and total and local density of states of a 1D nanowire, with possible potential barriers or impurities, attached to two semi-infinite electrodes)
- 8zgnr.m (code to compute the subband structure of an infinite zigzag graphene nanoribbon discussed in the Lecture notes)
- gnr_cond_recursive.m,bstruct.m, blocktosparse.m, sparsetoblock.m, h_zigzag.m, invnn.m, Self.m, (code to compute the conductance of a finite graphene nanoribbon attached to two semi-infinite graphene electrodes)
M-functions
- matrix_exp.m (Exponential, or any other function with small changed in the code, of a Hermitian matrix)
- visual_graphene_H.m (For a given tight-binding Hamiltonian on the honeycomb lattice, function plots position of carbon atoms and draws blue lines to represent hoppings between them; red circles to represent on-site potential between them; and cyan lines to represent the periodic boundary conditions; it can be used to test if the tight-binding Hamiltonian of graphene is set correctly); This function calls another three function which should be placed in the same directory (or in the path): atomCoord.m, atomPosition.m, and constrainView.m
- self_energy.m (Self-energy of the semi-infinite ideal metallic lead modeled on the square tight-binding lattice - the code shows how to convert analytical formulas of the lead surface Green function into a working program)
