Home 
Retrieve | Search
 
Issues
Retrieve
Home > Issues > Retrieve
 
Half-metallic and Magnetic Properties of (001) Surfaces of KCaN2 Compound in full-Heusler Structure
Journal of Magnetics, Volume 18, Number 4, 31 Dec 2013, Pages 375-379
Beata Bialek (Department of Physics, Inha University), Jae Il Lee * (Department of Physics, Inha University)
Abstract

The electronic and the magnetic properties of (001) surface of KCaN2 half-metallic compound with full-Heusler structure are studied with the use of a full-potential linearized augmented plane wave method. Two possible terminations of the surface are considered and only the one with N atoms in the topmost layer is found to retain the half-metallic properties of the bulk. The magnetic properties of N-terminated surface are enhanced compared with the properties of the bulk. The calculated magnetic moments on the N atoms in the KCaN2 are 1.26 μB in the bulk and 1.90 μB at the surface. The subsurface metal atoms are also slightly polarized. In the surface terminated with metal atoms, not only the half-metallicity is destroyed, but also the magnetic properties of the system are weakened.


 

Keywords: half-metallicity; electronic structure; surface magnetism
DOI: http://dx.doi.org/10.4283/JMAG.2013.18.4.375
Full Text: PDF
 
Copyright(c) 2009 The Korean Magnetics Society All rights reserved. E-mail : komag@unitel.co.kr