This title appears in the Scientific Report :
2011
Please use the identifier:
http://hdl.handle.net/2128/6759 in citations.
Please use the identifier: http://dx.doi.org/10.1103/PhysRevB.83.094434 in citations.
Complex magnetic behavior and high spin polarization in Fe$_{3-x}$Mn$_{x}$Si alloys
Complex magnetic behavior and high spin polarization in Fe$_{3-x}$Mn$_{x}$Si alloys
Fe3Si is a ferromagnetic material with possible applications in magnetic tunnel junctions. When doped with Mn, the material shows a complex magnetic behavior, as suggested by older experiments. We employed the Korringa-Kohn-Rostoker Green-function method within density-functional theory in order to...
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Personal Name(s): | Ležaić, Marjana (Corresponding Author) |
---|---|
Mavropoulos, Ph. / Blügel, S. / Ebert, Hubert | |
Contributing Institute: |
Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien; PGI-1 Jülich-Aachen Research Alliance - Simulation Sciences; JARA-SIM JARA-FIT; JARA-FIT |
Published in: | Physical Review B Physical review / B, 83 83 (2011 2011) 9 9, S. 094434 094434 |
Imprint: |
College Park, Md.
APS
2011
|
Physical Description: |
094434 |
DOI: |
10.1103/PhysRevB.83.094434 |
Document Type: |
Journal Article |
Research Program: |
Spin-based and quantum information Grundlagen für zukünftige Informationstechnologien |
Series Title: |
Physical Review B
83 |
Subject (ZB): | |
Link: |
Publishers version according to licensing conditions. Get full text OpenAccess OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://dx.doi.org/10.1103/PhysRevB.83.094434 in citations.
Fe3Si is a ferromagnetic material with possible applications in magnetic tunnel junctions. When doped with Mn, the material shows a complex magnetic behavior, as suggested by older experiments. We employed the Korringa-Kohn-Rostoker Green-function method within density-functional theory in order to study the alloy Fe3-xMnxSi, with 0 <= x <= 1. Chemical disorder is described within the coherent potential approximation. In agreement with experiment, we find that the Mn atoms align ferromagnetically to the Fe atoms, and that the magnetization and Curie temperature drop with increasing Mn concentration x. The calculated spin polarization P at the Fermi level varies strongly with x, from P = -0.3 at x = 0 (ordered Fe3Si) through P = 0 at x = 0.28, to P = +1 for x > 0.75; i.e., at high Mn concentrations the system is half metallic. We discuss the origin of the trends of magnetic moments, exchange interactions, Curie temperature, and the spin polarization. |