Searching for hexagonal analogues of the half-metallic half-Heusler XYZ compounds
| dc.creator | Casper, Frederick | |
| dc.creator | Felser, Claudia | |
| dc.creator | Seshadri, Ram | |
| dc.creator | Sebastian, C. Peter | |
| dc.creator | Poettgen, Rainer | |
| dc.date | 2007-10-30 | |
| dc.date.accessioned | 2026-07-07T08:53:43Z | |
| dc.date.available | 2026-07-07T08:53:43Z | |
| dc.description | 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 understand the electronic structure of semiconducting 8-electron compounds such as LiAlSi (formulated Li$^+$[AlSi]$^-$) or semiconducting 18-electron compounds such as TiCoSb (formulated Ti$^{4+}$[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 Mn$^{3+}$[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. | |
| dc.description | 11 pages, 6 figures, of which 4 are colour | |
| dc.identifier | https://arxiv.org/abs/0710.5769 | |
| dc.identifier | http://arxiv.org/abs/0710.5769 | |
| dc.identifier | J. Phys. D: Appl. Phys. 41 (2008) 035002. | |
| dc.identifier | doi:10.1088/0022-3727/41/3/035002 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/145719 | |
| dc.subject | Materials Science | |
| dc.subject | Other Condensed Matter | |
| dc.title | Searching for hexagonal analogues of the half-metallic half-Heusler XYZ compounds | |
| dc.type | text |