A New Spin Gapless Semiconductors Family: Quaternary Heusler Compounds
| Autor: | Xu, G. Z., Liu, E. K., Du, Y., Li, G. J., Liu, G. D., Wang, W. H., Wu, G. H. |
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| Rok vydání: | 2013 |
| Předmět: | |
| Zdroj: | EPL, 102 (2013) 17007 |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1209/0295-5075/102/17007 |
| Popis: | Using first-principles calculations, we investigate the band structures of a series of quaternary LiMgPdSn-type Heusler compounds. Our calculation results show that five compounds CoFeMnSi, CoFeCrAl, CoMnCrSi, CoFeVSi and FeMnCrSb possess unique electronic structures characterized by a half-metallic gap in one spin direction while a zero-width gap in the other spin direction showing spin gapless semiconducting behavior. We further analysis the electronic and magnetic properties of all quaternary Heusler alloys involved, and reveal a semi-empirical general rule (total valence electrons number being 26 or 28) for indentifying spin gapless semiconductors in Heusler compounds. The influences of lattice distortion and main-group element change have also been discussed. Comment: 20 pages, 5 figures, 1 supplementary file, submitted for publication |
| Databáze: | arXiv |
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