This title appears in the Scientific Report :
2005
Please use the identifier:
http://dx.doi.org/10.1093/jmicro/54.suppl_1.i53 in citations.
Half-metallic Alloys: Electronic Structure, Magnetism and Spin Polarisation
Half-metallic Alloys: Electronic Structure, Magnetism and Spin Polarisation
Using the state-of-the-art screened Korringa-Kohn-Rostoker Green function method we study the electronic and magnetic properties of NiMnSb and similar Heusler alloys. We show that all these compounds are half-metals, e.g. the minority-spin band is semiconducting and the Fermi level falls within this...
Saved in:
Personal Name(s): | Dederichs, P. H. |
---|---|
Galanakis, I. / Mavropoulos, Ph. | |
Contributing Institute: |
Theorie I; IFF-TH-I Theorie III; IFF-TH-III |
Published in: | Journal of electron microscopy, 54 (2005) S. i53 - i56 |
Imprint: |
Oxford [u.a.]
Oxford Univ. Press
2005
|
Physical Description: |
i53 - i56 |
PubMed ID: |
16157642 |
DOI: |
10.1093/jmicro/54.suppl_1.i53 |
Document Type: |
Journal Article |
Research Program: |
Kondensierte Materie |
Series Title: |
Journal of Electron Microscopy
54 |
Subject (ZB): | |
Publikationsportal JuSER |
Using the state-of-the-art screened Korringa-Kohn-Rostoker Green function method we study the electronic and magnetic properties of NiMnSb and similar Heusler alloys. We show that all these compounds are half-metals, e.g. the minority-spin band is semiconducting and the Fermi level falls within this gap resulting in 100% spin polarization at the Fermi level. The total spin moment M(t) shows the so-called Slater-Pauling behaviour and scales with the total valence charge Z(t) following the rule M(t) = Z(t) - 18 for half and M(t) = Z(t) - 24 for full Heusler alloys. These rules are connected to the origin of the gap. Finally we show that the inclusion of the spin-orbit interaction in our calculations kills the half-metallic gap but the spin-polarization at the Fermi level can be still very high, approximately 99% for NiMnSb, but much lower for a half-metallic compound like zinc-blende MnBi (77%). |