Disorder Scattering in Magnetic Tunnel Junctions: Theory of Nonequilibrium Vertex Correction
- 25 April 2008
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 100 (16), 166805
- https://doi.org/10.1103/physrevlett.100.166805
Abstract
We report a first principles formalism and its numerical implementation for treating quantum transport properties of nanoelectronic devices with atomistic disorder. We develop a nonequilibrium vertex correction (NVC) theory to handle the configurational average of random disorder at the density matrix level so that disorder effects to nonlinear and nonequilibrium quantum transport can be calculated from atomic first principles in a self-consistent and efficient manner. We implement the NVC into a Keldysh nonequilibrium Green’s function (NEGF) -based density functional theory (DFT) and apply the NEGF-DFT-NVC formalism to Fe/vacuum/Fe magnetic tunnel junctions with interface roughness disorder. Our results show that disorder has dramatic effects on the nonlinear spin injection and tunnel magnetoresistance ratio.Keywords
This publication has 28 references indexed in Scilit:
- Scaling Theory Put into Practice: First-Principles Modeling of Transport in Doped Silicon NanowiresPhysical Review Letters, 2007
- Universal Spin-Hall Conductance Fluctuations in Two DimensionsPhysical Review Letters, 2006
- Resonant Inversion of Tunneling MagnetoresistancePhysical Review Letters, 2003
- Making Nonmagnetic Semiconductors FerromagneticScience, 1998
- Tunneling of electrons in conventional and half-metallic systems: Towards very large magnetoresistancePhysical Review B, 1997
- Electronic structure ofSolid State Communications, 1987
- Self-consistent-field-Korringa-Kohn-Rostoker-coherent-potential approximation for random alloysZeitschrift für Physik B Condensed Matter, 1982
- The atomic sphere approximation to the KKR-CPA: electronic structure of paramagnetic CucNi1-calloysJournal of Physics F: Metal Physics, 1978
- Single-Site Approximations in the Electronic Theory of Simple Binary AlloysPhysical Review B, 1968
- Coherent-Potential Model of Substitutional Disordered AlloysPhysical Review B, 1967