[Wien] Effect of spin-orbit coupling on half metal

[Fecher, Gerhard]

Please read
Ph. Mavropoulos, I. Galanakis, V. Popescu., P. H. Dederichs
The influence of spin–orbit coupling on the band gap of Heusler alloys
J. Phys.: Condens. Matter 16 (2004) S5759

or in more detail the book C. Felser, G.H. Fecher (Eds.); Spintronics; Springer Verlag (2013)

Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
and
Max Planck Institute for Chemical Physics of Solids
01187 Dresden
________________________________________
Von: Wien [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Riyajul Islam [riyajul80 at gmail.com]
Gesendet: Dienstag, 29. Januar 2019 09:31
An: A Mailing list for WIEN2k users
Betreff: [Wien] Effect of spin-orbit coupling on half metal

Dear Wien2k users,
I am working on MnFe2O4 cubic structure on wien version 18.2 with OS centos7. In normal GGA calculation, MnFe2O4 shows half-metallic nature. With the inclusion of spin-orbit coupling, it shows metallic behaviour. Can anyone please explain the effect of spin-orbit coupling on half metals?

Thanking you in advance
--
Riyajul Islam
Research Scholar
National Institute of Technology Nagaland
Chumukedima, Dimapur
Nagaland 797103, India