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Zeitschriftenartikel:

M. Divis, J. Rusz, G. Hilscher, H. Michor, P. Blaha, K. Schwarz:
"First Principles Calculation of the Crystal Field Splitting in Rare Earth Borocarbides";
Czechoslovak Journal of Physics, 52 (2002), S. 283 - 286.



Kurzfassung englisch:
First Principles Calculation of the Crystal Field Splitting in Rare Earth Borocarbides

M. Divi?
Department of Electronic Structures, Charles University, Ke Karlovu 5, 121 16 Praha 2, Czech Republic

J. Rusz
Department of Electronic Structures, Charles University, Ke Karlovu 5, 121 16 Praha 2, Czech Republic

G. Hilscher
Vienna University of Technology, Karlsplatz 13, A-1040 Wien, Austria

H. Michor
Vienna University of Technology, Karlsplatz 13, A-1040 Wien, Austria

P. Blaha
Vienna University of Technology, Karlsplatz 13, A-1040 Wien, Austria

K. Schwarz
Vienna University of Technology, Karlsplatz 13, A-1040 Wien, Austria

Abstract
The crystal field (CF) interaction was calculated from first principles for the RNi2B2 C (R = Pr, Nd, Sm and Er) borocarbides. The parameters of the CF hamiltonian were used to obtain the CF splitting of the ground state multiplets of the R3+ ions. This allows a comparison of the calculated specific heat of NdNi2B2C with the experiment yielding qualitatively good agreement.


Elektronische Version der Publikation:
http://ipsapp009.lwwonline.com/content/getfile/4590/14/41/abstract.htm


Erstellt aus der Publikationsdatenbank der Technischen Universitšt Wien.