Electronic and Magnetic Properties of ThCo_4B

• Authors: A. Szajek
• Languages of publication: EN

Abstracts

EN

ThCo_4B compound crystallizes in the hexagonal CeCo_4B type structure. The electronic structure is calculated based on full-potential local-orbital full-relativistic method. The ab initio calculations showed that small magnetic moments (≈0.1 μ_B/atom) are formed on Th and B atoms, antiparallel to the moments on Co atoms equal to 1.55 and 0.43 μ_B/atom for Co(2c) and Co(6i), respectively. The densities of states at the Fermi level are equal to 1.3 and 5.4 states/(eV spin f.u.) for spin up and down, respectively. These values are predominated by Co(3d) electrons.

Keywords

EN

71.20.-b; 75.20.Hr

Discipline

• 71.20.-b: Electron density of states and band structure of crystalline solids
• 75.20.Hr: Local moment in compounds and alloys; Kondo effect, valence fluctuations, heavy fermions(for Kondo effect and scattering mechanisms in electronic conduction, see 72.15.Qm and 72.10.Fk)

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2008
• Volume: 113
• Issue: 1
• Pages: 283-286

Dates

published

2008-01

received

2007-07-09

Contributors

author

A. Szajek

• Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań, Poland

References

• 1. V. Sechovsky, L. Havela, in: Ferromagnetic Materials, Vol. 4, Eds. E.P. Wohlfarth, K.H.J. Buschow, North Holland, Amsterdam 1988, p. 309
• 2. M.S.S. Brooks, B. Johansson, in: Handbook of Magnetic Materials, Vol. 7, Ed. K.H.J. Buschow, North Holland, Amsterdam 1993, p. 139
• 3. G. Zwicknagl, A.N. Yaresko, P. Fulde, Phys. Rev. B 65, 081103(R) (2002)
• 4. O. Isnard, V. Pop, J.C. Toussaint, J. Phys., Condens. Matter 15, 791 (2003)
• 5. H. Nakotte, L. Havela, J.P. Kuang, F.R. de Boer, K.H.J. Buschow, J.H.V.J. Brabers, T. Kuroda, K. Sugijama, M. Date, Int. J. Mod. Phys. B 7, 838 (1993)
• 6. K. Koepernik, H. Eschrig, Phys. Rev. B 59, 1743 (1999)
• 7. I. Opahle, K. Koepernik, H. Eschrig, Phys. Rev. B 60, 14035 (1999)
• 8. H. Eschrig, The Fundamentals of Density Functional Theory, 2nd ed., Edition am Gutenbergplatz, Leipzig 2003
• 9. P. Blöchl, O. Jepsen, O.K. Andersen, Phys. Rev. B 49, 16223 (1994)
• 10. J.P. Perdew, Y. Wang, Phys. Rev. B 45, 13244 (1992)
• 11. A. Szajek, J. Magn. Magn. Mater. 185, 322 (1998)
• 12. A. Szajek, J.A. Morkowski, Mater. Sci. (Poland) 24, 839 (2006)

Identifiers

DOI

10.12693/APhysPolA.113.283