Journal Article

PreJuSER-52861

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Electronic structure and exchange constants in magnetic semiconductor digital alloys: chemical and band-gap effects

Picozzi, S. ; Lezaic, M.FZJ* ; Blügel, S.FZJ*

2006
Wiley-VCH Weinheim

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Please use a persistent id in citations: doi:10.1002/pssa.200669574

Abstract: First-principles simulations have been performed for [001]-ordered Mn/Ge and Mn/GaAs "digital alloys", focusing on the effects of (i) a larger band-gap and (ii) a different semiconducting host on the electronic structure of the magnetic semiconductors of interest. Our results for the exchange constants in Mn/Ge, evaluated using a frozen-magnon scheme, show that a larger band-gap tends to give a stronger nearest-neighbor ferromagnetic coupling and an overall enhanced in-plane ferromagnetic coupling even for longer-ranged coupling constants. As for the chemical effects on the exchange constants, we show that Mn/GaAs shows a smaller nearest-neighbor ferromagnetic coupling than Mn/Ge, but exchange constants for higher Mn-Mn distance show an overall increased ferromagnetic behavior in Mn/GaAs. As a result, from the magnetic-coupling point of view, the two systems behave on average rather similarly. (c) 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Keyword(s): J

Note: Record converted from VDB: 12.11.2012

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Contributing Institute(s):

1. Theorie I (IFF-TH-I)
2. Jülich-Aachen Research Alliance - Fundamentals of Future Information Technology (JARA-FIT)
3. Jülich-Aachen Research Alliance - Simulation Sciences (JARA-SIM)

Research Program(s):

1. Kondensierte Materie (P54)

Appears in the scientific report 2006

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