Numerical extraction of de Haas - van Alphen frequencies from calculated band energies

Abstract

A new algorithm for extracting de Haas-van Alphen frequencies and effective masses from calculated band energies is presented. The algorithm creates an interpolated k-space "super cell," which is broken into slices perpendicular to the desired magnetic field direction. Fermi surface orbits are located within each slice, and de Haas-van Alphen frequencies and effective masses are calculated. Orbits are then matched across slices, and extremal orbits determined. This technique has been successful in locating extremal orbits not previously noticed in the complicated topology of existing UPt3 band-structure data; these new orbits agree with experimental de Haas-van Alphen measurements on this material, and solidify the case for a fully-itinerant model of UPt3.

21 pages, 7 figures, updated after publication in Computer Physics Communications, includes download link to algorithm source code

References in corpus (7)

• Magnetic-Field Dependence of the YbRh2Si2 Fermi Surface
• Layered Kondo lattice model for quantum critical beta-YbAlB4
• Fermi surface pockets in ortho-II YBa${}_2$Cu${}_3$O${}_{6.5}$: the origin of quantum oscillations?
• The Fermi surface and f-valence electron count of UPt3
• The role of f -electrons in the Fermi surface of the heavy fermion superconductor beta-YbAlB4
• A de Haas-van Alphen study of the filled skutterudite compounds PrOs${}_4$As${}_{12}$ and LaOs${}_4$As${}_{12}$
• The high-field Fermi surface of YbRh2Si2

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• Evidence of a coupled electron-phonon liquid in NbGe${}_2$
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• Field-Induced Lifshitz Transition in the Magnetic Weyl Semimetal Candidate PrAlSi
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• Experimental evidence of crystal symmetry protection for the topological nodal line semimetal state in ZrSiS
• Non-trivial topology in a layered Dirac nodal-line semimetal candidate SrZnSb${}_2$ with distorted Sb square nets
• Bulk Fermi surfaces of the Dirac Type-II Semimetallic Candidates VAl3, NbAl3 and TaAl3
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• Importance of electron correlations in understanding the photo-electron spectroscopy and the Weyl character of MoTe${}_2$
• Detection of hole pockets in the candidate type-II Weyl semimetal MoTe${}_2$ from Shubnikov-de Haas quantum oscillations
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• Thermodynamic Anomaly Above the Superconducting Critical Temperature in the Quasi One-Dimensional Superconductor Ta${}_4$Pd${}_3$Te${}_{16}$
• Evidence for Unconventional Superconductivity and Nontrivial Topology in PdTe
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• Sondheimer oscillations as a probe of non-ohmic flow in type-II Weyl semimetal WP${}_2$
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• Weak antilocalization in quasi-two-dimensional electronic states of epitaxial LuSb thin films
• Evidence of non-trivial Berry phase and Kondo physics in SmBi
• Superconductivity in PtPb${}_4$ with Possible Nontrivial Band Topology
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