1. LuRh2Si2: Sensitivity of the Fermi surface to the Si z-position.
- Author
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Reiss, Pascal, Rourke, Patrick M. C., Zwicknagl, Gertrud, Grosche, F. Malte, and Friedemann, SvEN
- Abstract
We present band structure calculations of the non-magnetic compound LuRh
2 Si2 which serves as a reference for YbRh2 Si2 , a prototypical material for the investigation of quantum critical points. The relative z position of the Si atoms is found to have a strong impact on the band structure and the Fermi surface topology. We find the total energy to be minimized for z = 0.381 c whereas a comparison of predicted extremal orbits with Shubnikov-de Haas frequencies shows best agreement at the experimental value z = 0.379 c. We therefore recommend usage of z = 0.379 c for future electronic structure calculations of LuRh2 Si2 and YbRh2 Si2 . [ABSTRACT FROM AUTHOR]- Published
- 2013
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