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http://dx.doi.org/10.4283/JMAG.2007.12.2.059

The Electronic Structures and Magnetism of Monolayer Fe on CuGaSe2(001)  

Jin, Ying-Jiu (Department of Physics, Inha University)
Lee, Jae-Il (Department of Physics, Inha University)
Publication Information
Journal of Magnetics / v.12, no.2, 2007 , pp. 59-63 More about this Journal
Abstract
Ferromagnet/Semiconductor heterostructures have attracted much attention because of their potential applications in spintronic devices. We investigated the electronic structures and magnetism of monolayer Fe on $CuGaSe_2(001)$ by using the all-electron full-potential linearized augmented plane-wave method within a generalized gradient approximation. We considered the monolayer Fe deposited on both the CuGa atoms terminated (CuGa-Term) and the Se atom terminated (Se-Term) surfaces of $CuGaSe_2(001)$. The calculated magnetic moment of the Fe atom on the CuGa-Term was about $2.90\;{{\mu}_B}$. Those of the Fe atoms on the Se-Term were in the range of $2.85-2.98\;{{\mu}_B}$. The different magnetic behaviors of the Fe atoms on two different surfaces were discussed using the calculated layer-projected density of states.
Keywords
electronic structures; surface and interface; magnetism; Fe monolayer on $CuGaSe_2(001)$; metal-semiconductor junction;
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