Title
Study of the magnetic and electronic properties of the Fe<inf>4</inf>N with pressure
Date Issued
01 October 2009
Access level
metadata only access
Resource Type
journal article
Author(s)
Instituto de Física de la Plata
Publisher(s)
Elsevier B.V.
Abstract
In the present work, we report ab-initio studies of the magnetic property variations with pressure of both iron sites in the structure of Fe4N, using full-potential linearized augmented plane wave method and the Perdew-Burke-Ernzerhof functional and generalized gradient approximation to describe the exchange-correlation potential are reported. The results show that the magnetic moment of FeI is almost constant while the magnetic moment of FeII presents a discontinuity when the lattice parameter is varied. This is reflected in the compression of the spin up and down energy bands to different concentration points. The variation in the FeII magnetization arises mainly from changes in the dxy, dxz, dyz and dx2-y2 orbitals. © 2009 Elsevier B.V. All rights reserved.
Start page
2872
End page
2875
Volume
404
Issue
18
Language
English
OCDE Knowledge area
Ingeniería eléctrica, Ingeniería electrónica
Física de partículas, Campos de la Física
Subjects
Scopus EID
2-s2.0-69249230758
Source
Physica B: Condensed Matter
ISSN of the container
09214526
Sponsor(s)
Research grants PIP 5283 from Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET, Argentina) and BID 1728 OC/AR PICT 38047 and PICT 2042 from Agencia Nacional de Promoción Científica y Tecnológica (ANPCYT), Argentina, are gratefully recognized.
Sources of information:
Directorio de Producción Científica
Scopus