Electronic structure of LuRh₂Si₂ : 'small' Fermi surface reference to YbRh₂Si₂

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DOIResolve DOI: http://doi.org/10.1088/1367-2630/15/9/093014
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TypeArticle
Journal titleNew Journal of Physics
ISSN1367-2630
Volume15
Article number93014
SubjectBand structure calculation; Heavy-fermion systems; High magnetic fields; Numerical lattices; Quantum critical; Quantum oscillations; Single-crystal structure; Surface configuration; Band structure; Electronic structure; Fermi surface; Silicon; Silicon wafers
AbstractWe present band structure calculations and quantum oscillation measurements on LuRh₂Si₂, which is an ideal reference to the intensively studied quantum critical heavy-fermion system YbRh₂Si₂. Our band structure calculations show a strong sensitivity of the Fermi surface on the position of the silicon atoms z Si within the unit cell. Single crystal structure refinement and comparison of predicted and observed quantum oscillation frequencies and masses yield zSi = 0.379 c in good agreement with numerical lattice relaxation. This value of zSi is suggested for future band structure calculations on LuRh₂Si₂ and YbRh₂Si₂. LuRh₂Si₂ with a full f electron shell represents the 'small' Fermi surface configuration of YbRh2Si 2. Our experimentally and ab intio derived quantum oscillation frequencies of LuRh₂Si₂ differ significantly from the results of earlier measurements on YbRh₂Si₂. Consequently, our results confirm the contribution of the f electrons to the Fermi surface of YbRh₂Si₂ at high magnetic fields. Yet, the limited agreement with refined fully itinerant local density approximation calculations highlights the need for more elaborate models to describe the Fermi surface of YbRh₂Si₂.
Publication date
PublisherIOP Publishing and Deutsche Physikalische Gesellschaft
LanguageEnglish
AffiliationNational Research Council Canada
Peer reviewedYes
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This is a non-NRC publication

"Non-NRC publications" are publications authored by NRC employees prior to their employment by NRC.

NPARC number21270629
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Record identifierdac0a248-3660-4345-a65a-6f6657d1064c
Record created2014-02-17
Record modified2016-11-15
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