Electronic structure and magnetism in doped semiconducting half-Heusler compounds

Details Electronic structure and magnetism in doped semiconducting half-Heusler compounds Electronic structure and magnetism in doped semiconducting half-Heusler compounds

2006-11-17

arxiv.org/abs/cond-mat/0611478v1

J. Phys.: Condens. Matter 17 (2005) 5037-5048

Physics

Condensed Matter

Materials Science

14 pages, 6 figures

Scientific paper

10.1088/0953-8984/17/33/008

We have studied in details the electronic structure and magnetism in M (Mn and Cr) doped semiconducting half-Heusler compounds FeVSb, CoTiSb and NiTiSn (XM$_{x}$Y$_{1-x}$Z) in a wide concentration range using local-spin density functional method in the framework of tight-binding linearized muffin tin orbital method(TB-LMTO) and supercell approach. Our calculations indicate that some of these compounds are not only ferromagnetic but also half-metallic and may be useful for spintronics applications. The electronic structure of the doped systems is analyzed with the aid of a simple model where we have considered the interaction between the dopant transition metal (M) and the valence band X-Z hybrid. We have shown that the strong X-d - M-d interaction places the M-d states close to the Fermi level with the M-t$_{2g}$ states lying higher in energy in comparison to the M-e$_{g}$ states. Depending on the number of available d-electrons, ferromagnetism is realized provided the d-manifold is partially occupied. The tendencies toward ferromagnetic(FM) or antiferromagnetic(AFM) behavior are discussed within Anderson-Hasegawa models of super-exchange and double-exchange. In our calculations for Mn doped NiTiSn, the strong preference for FM over AFM ordering suggests a possible high Curie temperature for these systems.

Affiliated with

Also associated with

No associations

Rating

Electronic structure and magnetism in doped semiconducting half-Heusler compounds does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Electronic structure and magnetism in doped semiconducting half-Heusler compounds, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Electronic structure and magnetism in doped semiconducting half-Heusler compounds will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-674144