Toy Model for Computing Left and Right Dephased Spectral Functions
29 May 2013 | Downloads | Contributor(s): Kirk Bevan
A Toy Model for Computing Left and Right Dephased Spectral Functions. Requires Matlab.
Real space first-principles semiempirical pseudopotentials for Fe/MgO/Fe
03 Dec 2008 | Downloads | Contributor(s): Kirk H. Bevan
A set of semiempirical pseudopotentials for the atomistic modeling of Fe/MgO/Fe tunnel junctions. See the attached document for a full description of their derivation and the modeling approach.
We present a real space density functional theory (DFT) localized basis set semi-empirical pseudopotential (SEP) approach. The method is applied to iron and magnesium oxide, where bulk SEP and local spin density approximation (LSDA) band structure calculations are shown to agree ...
First Principles Non-Equilibrium Green's Function Modeling of Vacum and Oxide Barrier Tunneling
01 Dec 2008 | Papers | Contributor(s): Kirk H. Bevan
Vacuum and oxide barrier electron tunneling phenomena have been studied at length for several decades. Yet with electron device barrier widths now commonly measured in atomic units, complex quantum mechanical phenomena such as wavefunction coupling, surface states, and interface bonds have begun to play a pivotal role. In this context we theoretically examine scanning tunneling microscopy (STM) and magnetic tunnel junction atomic scale devices. Our electron transport methodology couples ...
30 Jan 2008 | Tools | Contributor(s): Kirk H. Bevan
Non-equilibrium Green's Function Density Functional Theory Simulator