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Ab initio calculations of interface effects in tunnelling through MgO barriers on Fe(100)

D Wortmann1,2, G Bihlmayer2 and S Blügel2

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The tunnel-magneto-resistance (TMR) effect has been extensively studied in the last couple of years. While some experiments showed a strong dependence on the metal–insulator interface in these systems, most theoretical work gave little emphasis to the complicated interplay between electronic structure, atomic structure and the tunnelling process. We present calculations of the atomic structure of Fe/MgO/Fe(001) interfaces and its influence on the electronic structure. The tunnel current is calculated using the Landauer approach to describe the electron transport.


PACS

75.70.Cn Magnetic properties of interfaces (multilayers, superlattices, heterostructures)

75.47.-m Magnetotransport phenomena; materials for magnetotransport

75.25.+z Spin arrangements in magnetically ordered materials (including neutron and spin-polarized electron studies, synchrotron-source x-ray scattering, etc.)

73.40.Rw Metal-insulator-metal structures

71.15.Dx Computational methodology (Brillouin zone sampling, iterative diagonalization, pseudopotential construction)

Subjects

Condensed matter: electrical, magnetic and optical

Surfaces, interfaces and thin films

Dates

Issue 48 (8 December 2004)

Received 17 May 2004

Published 19 November 2004



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