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Ab-initio study of electronic and magnetic properties of Mn$_2$RuZ/MgO (001) heterojunctions (Z= Al, Ga, Si, Ge)
- Publication Year :
- 2020
-
Abstract
- Using first-principles calculations, we studied Mn$_2$RuZ (Z=Al, Ga, Si, Ge) and their heterojunctions with MgO along (001) direction. All these alloys possess Hg$_2$CuTi-type inverse Heusler alloy structure and ferrimagnetic ground state. Our study reveals the half-metallic electronic structure with highly spin-polarized $\Delta_1$ band, which is robust against atomic disorder. Next we studied the electronic structure of Mn$_2$RuAl/MgO and Mn$_2$RuGe/MgO heterojunctions. We found that the MnAl- or MnGe-terminated interface is energetically more favorable compared to the MnRu-terminated interface. Interfacial states appear at the Fermi level in the minority-spin gap for the Mn$_2$RuGe/MgO junction. We discuss the origin of these interfacial states in terms of local environment around each constituent atom. On the other hand, in the Mn$_2$RuAl/MgO junction, high spin polarization of bulk Mn$_2$RuAl is preserved independent of its termination.<br />Comment: 15 pages, 7 figures
- Subjects :
- Condensed Matter - Materials Science
Materials science
Condensed matter physics
Spin polarization
Fermi level
Ab initio
Materials Science (cond-mat.mtrl-sci)
FOS: Physical sciences
Heterojunction
02 engineering and technology
Electronic structure
021001 nanoscience & nanotechnology
Condensed Matter Physics
01 natural sciences
symbols.namesake
Ferrimagnetism
0103 physical sciences
Atom
symbols
General Materials Science
010306 general physics
0210 nano-technology
Ground state
Subjects
Details
- Language :
- English
- Database :
- OpenAIRE
- Accession number :
- edsair.doi.dedup.....f2e5513c7ff4b58dd061ea7cdfa2d5f0