Comparison of two structures for transition-metal-based half Heusler alloys exhibiting fully compensated half metallicity

Details Comparison of two structures for transition-metal-based half Heusler alloys exhibiting fully compensated half metallicity Comparison of two structures for transition-metal-based half Heusler alloys exhibiting fully compensated half metallicity

2011-08-18

arxiv.org/abs/1108.3651v1

Physics

Condensed Matter

Materials Science

9 figures, 7 pages

Scientific paper

We search for new fully compensated half metals, in which only one electronic spin channel is conducting and there exists no net magnetic moment. We focus on half Heusler alloys and we examine the physical consequence of different crystal structures found in the literature for these compounds, XMnZ, with a transition metal element, such as Cr, Mn, and Fe for X and a nonmetallic element, such as P, Sb and Si for Z. The structures differ in the placement of voids in the L2$_1$ structure of the full Heulser alloy. One structure has the void at (1/4, 3/4, 1/4)a and the other places the void at (0.0, 0.0, 1/2)a. The first structure is expected to have greater d-p hybridization between Mn and the Z atom. The other exhibits strong d-d hybridization between the nearest neighboring transition metal elements. Five XMnZ compounds are considered along with the previously studied CrMnSb in the second structure, which serves as a reference. Besides the CrMnSb, only one other alloy, MnMnSi, shows fully compensated half metallic properties in both structures. Both these alloys obey the Slater-Pauling electron counting rule for half Hesuler alloys. The differences between CrMnSb and MnMnSi in the two structures are discussed based on their atomic properties. In the search for fully compensated half metals in transition metal-based half Heusler alloys, we suggest using the counting rule as a guide.

Affiliated with

Also associated with

No associations

Rating

Comparison of two structures for transition-metal-based half Heusler alloys exhibiting fully compensated half metallicity 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 Comparison of two structures for transition-metal-based half Heusler alloys exhibiting fully compensated half metallicity, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Comparison of two structures for transition-metal-based half Heusler alloys exhibiting fully compensated half metallicity will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-180704