Structural and magnetic characterization of Mn 3IrGe and Mn 3Ir(Si 1-xGe x): Experiments and theory

Journal of Solid State Chemistry

Volumn 177, Issue 11, 2004, Pages 4058-4066

  Eriksson, T ^a   Bergqvist, L ^a   Nordblad, P ^a   Eriksson, O ^a   Andersson, Y ^a  

^a UPPSALA UNIVERSITY   (Sweden)

Author keywords

Crystal structure; First principles calculations; Magnetic frustration; Magnetic structure; Manganese iridium germanide; Manganese iridium silicide; Neutron diffraction; Rietveld method; Susceptibility measurements

Indexed keywords

MAGNETIC CHARACTERIZATION; MAGNETIC INTERACTIONS;

ANTIFERROMAGNETISM; MAGNETIC MOMENTS; MAGNETIZATION; X RAY POWDER DIFFRACTION;

MANGANESE COMPOUNDS;

GERMANIUM DERIVATIVE; IRIDIUM; MANGANESE DERIVATIVE; SILICON DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; MAGNETISM; PHYSICAL CHEMISTRY; PHYSICAL PHASE; STRUCTURE ANALYSIS; TEMPERATURE DEPENDENCE; THEORETICAL MODEL; X RAY POWDER DIFFRACTION;

EID: 9144262404     PISSN: 00224596     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jssc.2004.07.001     Document Type: Article

References (29)

1. J. Kübler Theory of Itinerant Electron Magnetism 2000 Oxford Science Publications Oxford
2. R.J. Elliot, and F.A. Wedgwood Proc. Phys. Soc. 81 1963 846 855
3. J. Jensen, and A.R. Mackintosh Rare Earth magnetism 1991 Clarendon Press Oxford
4. R. Lizárraga et al., unpublished.
5. T. Eriksson, R. Lizárraga, and S. Felton Phys. Rev. B 69 2004 054422
6. H. Nakamura, K. Yoshimoto, M. Shiga, M. Nishi, and K. Kakurai J. Phys. Condens. Matter 9 1997 4701 4728
7. J.R. Stewart, and R. Cywinski Phys. Rev. B 59 1999 4305 4313
8. J.R. Stewart, and R. Cywinski J. Magn. Magn. Mater. 272-276 2004 676 678
9. J.B. Dunlop, J.M. Williams, and J. Crangle Physica 86-88B 1977 269 271
10. Y. Nakai J. Phys. Soc. Jpn. 63 1994 775 780
11. K. Sasao, R.Y. Umetsu, and K. Fukamichi J. Alloys Compds. 325 2001 24 28
12. S.H. Lee, C. Broholm, G. Aeppli, T.G. Perring, B. Hessen, and A. Taylor Phys. Rev. Lett. 76 1996 4424 4427
13. P. Schiffer, A.P. Ramirez, D.A. Huse, and A.J. Valentino Phys. Rev. Lett. 73 1994 2500 2503
14. O.A. Petrenko, C. Ritter, M. Yethiraj, and D. McK Paul Phys. Rev. Lett. 80 1998 4570 4573
15. S. Rundqvist Chem. Scr. 28 1988 15 20
16. J. Rodríguez-Carvajal, FULLPROF computer program, version 2.45, LLB, Saclay, 2003.
17. P. Hohenberg, and W. Kohn Phys. Rev. 136 1964 B864 B871
18. W. Kohn, and L.J. Sham Phys. Rev. 140 1965 A1133 A1138
19. J.P. Perdew, K. Burke, and M. Enzerhof Phys. Rev. Lett. 77 1996 3865 3868
20. O.K. Andersen Phys. Rev. B 12 1975 3060 3083
21. O.K. Andersen, and O. Jepsen Phys. Rev. Lett. 53 1984 2571 2574
22. The computer code was made in-house, based on the original method published in Ref. [20]. For details, see www.fysik.uu.se/theomag.
23. L.M. Sandratskii Adv. Phys. 47 1998 91 160
24. L. Nordström, and D.J. Singh Phys. Rev. Lett. 76 1996 4420 4423
25. M. Methfessel, and A.T. Paxton Phys. Rev. B 40 1989 3616 3621
26. O.E. Ullner Ark. Kemi Mineral. Geol. 14A 1940 1 20
27. G.D. Preston Philos. Mag. 5 1928 1207 1225
28. C.B. Shoemaker, D.P. Shoemaker, T.E. Hopkins, and S. Yindepit Acta Crystallogr. B 34 1978 3573 3576
29. A.S. Wills Can. J. Phys. 79 2001 1501 1510