This title appears in the Scientific Report :
2014
Please use the identifier:
http://dx.doi.org/10.1063/1.4867917 in citations.
Please use the identifier: http://hdl.handle.net/2128/16805 in citations.
Conditions for spin-gapless semiconducting behavior in Mn2CoAl inverse Heusler compound
Conditions for spin-gapless semiconducting behavior in Mn2CoAl inverse Heusler compound
Employing ab initio electronic structure calculations, we investigate the conditions for spin-gapless semiconducting (SGS) behavior in the inverse Mn2 CoAl Heusler compound. We show that tetragonalization of the lattice, which can occur during films growth, keeps the SGS character of the perfect cub...
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Personal Name(s): | Galanakis, I. (Corresponding Author) |
---|---|
Özdoğan, K. / Şaşıoğlu, E. / Blügel, S. | |
Contributing Institute: |
Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien; PGI-1 |
Published in: | Journal of applied physics, 115 (2014) 9, S. 093908 |
Imprint: |
Melville, NY
American Institute of Physics
2014
|
DOI: |
10.1063/1.4867917 |
Document Type: |
Journal Article |
Research Program: |
Spin-based and quantum information |
Link: |
OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/16805 in citations.
Employing ab initio electronic structure calculations, we investigate the conditions for spin-gapless semiconducting (SGS) behavior in the inverse Mn2 CoAl Heusler compound. We show that tetragonalization of the lattice, which can occur during films growth, keeps the SGS character of the perfect cubic compound. On the contrary, atomic swaps even between sites with different local symmetry destroy the SGS character giving rise to a half-metallic state. Furthermore, the occurrence of Co-surplus leads also to half-metallicity. Thus, we propose that in order to achieve SGS behavior during the growth of Mn2 CoAl (and similar SGS Heusler compounds) thin films, one should minimize the occurrence of defects, while small deformations of the lattice, due to the lattice mismatch with the substrate, do not play a crucial role. |