Crystallographic and electronic structure of CuXFe4-XN

Citation
Rs. De Figueiredo et al., Crystallographic and electronic structure of CuXFe4-XN, J ALLOY COM, 315(1-2), 2001, pp. 42-50
Citations number
30
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
JOURNAL OF ALLOYS AND COMPOUNDS
ISSN journal
09258388 → ACNP
Volume
315
Issue
1-2
Year of publication
2001
Pages
42 - 50
Database
ISI
SICI code
0925-8388(20010209)315:1-2<42:CAESOC>2.0.ZU;2-6
Abstract
In the present work, the electronic and the crystallographic structures of y'-CuxFr4 N-x Perovskite nitrides have been determined. Mechanical alloying has been used to obtain these nitrides, meanwhile fully ordered y'-CuFe3N single phase could not be obtained except up to approximate to 12 at% Cu (y '-Cu0.6Fe3,4N). The measured lattice parameter tr = 0.378 nm is near the we ll known y'-Fe4N nitride (a = 0.377 nm). Order phenomena during thermal agi ng have been established and discussed on the basis of Mossbauer results. S elf-consistent LMTO calculations were performed for y'-CuFe3N fully ordered compound. The calculated magnetic moment was calculated to be 6.18 /(B) pe r unit cell. Also theoretically determined results were compared with Mossb auer data (extrapolated for the ideal cast) in terms of isomer shift and ma gnetic hyperfine field. (C) 2001 Elsevier Science B.V. All rights reserved.