Benutzerhandbuch Datenschutzhinweis Impressum Kontakt





Searching for hexagonal analogues of the half-metallic half-Heusler XYZ compounds

Es sind keine MPG-Autoren in der Publikation vorhanden
Externe Ressourcen
Es sind keine Externen Ressourcen verfügbar
Volltexte (frei zugänglich)
Es sind keine frei zugänglichen Volltexte verfügbar
Ergänzendes Material (frei zugänglich)
Es sind keine frei zugänglichen Ergänzenden Materialien verfügbar

Casper, F., Felser, C., Seshadri, R., Sebastian, C. P., & Pöttgen, R. (2008). Searching for hexagonal analogues of the half-metallic half-Heusler XYZ compounds. Journal of Physics D: Applied Physics, 41(3): 035002, pp. 1-7. doi:10.1088/0022-3727/41/3/035002.

The XYZ half-Heusler crystal structure can conveniently be described as a tetrahedral zinc blende YZ structure which is stuffed by a slightly ionic X species. This description is well suited to understanding the electronic structure of semiconducting 8-electron compounds such as LiAlSi (formulated Li+[AlSi](-)) or semiconducting 18-electron compounds such as TiCoSb (formulated Ti4(+)[CoSb](4-)). The basis for this is that [AlSi](-) (with the same electron count as Si-2) and [CoSb](4-) (the same electron count as GaSb) are both, structurally and electronically, zinc blende semiconductors. The electronic structure of half-metallic ferromagnets in this structure type can then be described as semiconductors with stuffing magnetic ions which have a local moment: for example, 22-electron MnNiSb can be written Mn3+[NiSb](3-). The tendency in the 18-electron compound for a semiconducting gap -believed to arise from strong covalency-is carried over in MnNiSb to a tendency for a gap in one-spin direction. Here we similarly propose the systematic examination of 18-electron hexagonal compounds for semiconducting gaps; these would be the 'stuffed wurtzite' analogues of the 'stuffed zinc blende' half-Heusler compounds. These semiconductors could then serve as the basis for possibly new families of half-metallic compounds, attained through appropriate replacement of non-magnetic ions by magnetic ones. These semiconductors and semimetals with tunable charge carrier concentrations could also be interesting in the context of magnetoresistive and thermoelectric materials.