2014
DOI: 10.1021/am5037753
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Fate of Half-Metallicity Near Interfaces: The Case of NiMnSb/MgO and NiMnSi/MgO

Abstract: The electronic and magnetic properties of the interfaces between the half-metallic Heusler alloys NiMnSb, NiMnSi and MgO have been investigated using first-principles density-functional calculations with projector augmented wave potentials generated in the generalized gradient approximation. In the case of the NiMnSb/MgO (100) interface the half-metallicity is lost, whereas the MnSb/MgO contact in the NiMnSb/MgO (100) interface maintains a substantial degree of spin polarization at the Fermi level (∼ 60%). Rem… Show more

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Cited by 9 publications
(7 citation statements)
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“…0.5 eV for NiMnSb and 1 eV for CoMnSb) 21 are promising for the development of high-performance magnetoresistive devices owing to the suppression of thermal activations of the electrons above the bandgap. Nevertheless, previous studies have demonstrated that the half-metallic properties of half-Heusler alloys can be very easily degraded by disordering and the presence of defects and/or surface segregation and termination atoms 22 23 24 , and a few percent CPP-GMR ratio was only observed at low temperature (4.2 K) in a polycrystalline NiMnSb/Cu/NiFe system 25 . This indicates that a precise control over the ordering and structure of half-Heusler alloys is highly desired.…”
mentioning
confidence: 99%
“…0.5 eV for NiMnSb and 1 eV for CoMnSb) 21 are promising for the development of high-performance magnetoresistive devices owing to the suppression of thermal activations of the electrons above the bandgap. Nevertheless, previous studies have demonstrated that the half-metallic properties of half-Heusler alloys can be very easily degraded by disordering and the presence of defects and/or surface segregation and termination atoms 22 23 24 , and a few percent CPP-GMR ratio was only observed at low temperature (4.2 K) in a polycrystalline NiMnSb/Cu/NiFe system 25 . This indicates that a precise control over the ordering and structure of half-Heusler alloys is highly desired.…”
mentioning
confidence: 99%
“…Using DFT calculations, a genuine half-metallic interface of NiMnSb with InP and CdS has been obtained only for the anion terminated (111) direction 78 . Interfaces of semi-Heuslers NiMnSb or NiMnSi with large gap insulators such as MgO have been also studied 79 . A high spin polarization has been obtained only under the prerequisite of structural optimization 79 .…”
Section: Discussionmentioning
confidence: 99%
“…Interfaces of semi-Heuslers NiMnSb or NiMnSi with large gap insulators such as MgO have been also studied 79 . A high spin polarization has been obtained only under the prerequisite of structural optimization 79 .…”
Section: Discussionmentioning
confidence: 99%
“…36 Past research reports claimed that half-metallicity in half-Heusler alloys strongly depends on the structural ordering, defects, and surface segregation and termination atoms. 38,39 Structural ordering also has an impact on other magnetic properties as well. Epitaxial growth of Heusler alloys that are co-related with deposition temperature is really crucial for a stable crystal structure like the C1 b -type NiMnSb thin film.…”
Section: Introductionmentioning
confidence: 99%