1. Real space first-principles semiempirical pseudopotentials for Fe/MgO/Fe

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   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. Document Abstract: We present a real space density functional theory (DFT) localized basis set …

2. First Principles Non-Equilibrium Green's Function Modeling of Vacum and Oxide Barrier Tunneling

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   01 Dec 2008 | Publications | 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 …

3. Matdcal

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   total: updated 23 May 2013
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   30 Jan 2008 | Tools | Contributor(s): Kirk H. Bevan

   Non-equilibrium Green's Function Density Functional Theory Simulator

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