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LuRh 2 Si 2 : Sensitivity of the Fermi surface to the Si z ‐position
Author(s) -
Reiss Pascal,
Rourke Patrick M. C.,
Zwicknagl Gertrud,
Grosche F. Malte,
Friedemann Sven
Publication year - 2013
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201200954
Subject(s) - fermi surface , position (finance) , electronic band structure , fermi level , physics , condensed matter physics , sensitivity (control systems) , electronic structure , fermi energy , fermi gamma ray space telescope , atomic physics , quantum mechanics , electron , superconductivity , finance , electronic engineering , engineering , economics
We present band structure calculations of the non‐magnetic compound LuRh 2 Si 2 which serves as a reference for YbRh 2 Si 2 , 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 LuRh 2 Si 2 and YbRh 2 Si 2 .