Science-advisor
REGISTER info/FAQ
Login
username
password
     
forgot password?
register here
 
Research articles
  search articles
  reviews guidelines
  reviews
  articles index
My Pages
my alerts
  my messages
  my reviews
  my favorites
 
 
Stat
Members: 3643
Articles: 2'488'730
Articles rated: 2609

29 March 2024
 
  » arxiv » 1301.6367

 Article overview


Bonding, magnetic properties and stability of the half-Heusler alloys LiMnZ (Z=N, P, Si)
L. Damewood ; B.Busemeyer ; M. Shaughnessy ; C. Y. Fong ; L. H. Yang ; C. Felser ;
Date 27 Jan 2013
AbstractWe examined the bonding and magnetic properties, as well as the stability, of three magnetic half-Heusler alloys, namely LiMnZ, with Z=N, P or Si, in the three different atomic ordering of the C1_b crystal structure (i.e. alpha, beta, and gamma phases). At their respective optimized lattice constant, each material in the primitive cell is a ferromagnetic metal. Assuming a proper matching substrate could be found, alpha-LiMnN, LiMnSi in the beta and gamma phases, and LiMnP in the alpha and beta phases can be ferromagnetic half-metals at lattice constants larger than their optimized values. We also found that alpha-Li_{0.75}MnP, beta-Li_{0.75}MnZ, and pnictide gamma-Li_{0.75}MnZ can be half-metals at lattice constants slightly larger than the optimized values. Subsequently, we found that ferromagnetic LiMnZ obeys a modified Slater-Pauling curve, and all ferromagnetic Li_{0.75}MnZ, except for in the alpha phase, obey a similar curve. By comparing beta-LiMnP to the metastable zinc blende phase of MnP we determined the role of Li in the structure with respect to the elastic stability, electronic properties, and magnetic properties. Finally, we examined the possibility of antiferromagnetic ordering in these materials and found that by using the tetragonal unit cell, consisting of two formula units, LiMnN and LiMnP favor antiferromagnetic alignment.
Source arXiv, 1301.6367
Services Forum | Review | PDF | Favorites   
 
Visitor rating: did you like this article? no 1   2   3   4   5   yes

No review found.
 Did you like this article?

This article or document is ...
important:
of broad interest:
readable:
new:
correct:
Global appreciation:

  Note: answers to reviews or questions about the article must be posted in the forum section.
Authors are not allowed to review their own article. They can use the forum section.

browser claudebot






ScienXe.org
» my Online CV
» Free


News, job offers and information for researchers and scientists:
home  |  contact  |  terms of use  |  sitemap
Copyright © 2005-2024 - Scimetrica