Fermi surface of UPt/sub 3/ within the local-density approximation

Journal Article · Fri May 01 04:00:00 EDT 1987 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.35.7260· OSTI ID:5924561

Wang, C S; Norman, M R; Albers, R C; Boring, A M; Pickett, W E; Krakauer, H; Christensen, N E

The Fermi surface of UPt/sub 3/ is constructed from three different local-density band calculations, one utilizing a linearized muffin-tin orbital approach in the atomic-sphere approximation (LMTO-ASA), the second an LMTO with additional combined correction terms (LMTO-CC), and the third a general potential linearized augmented plane-wave (LAPW) approach. The topology of the three surfaces are similar, except for the sheets coming from the lowest two bands which are slightly different between the cases. These surfaces are then compared to the experimental de Haas--van Alphen (dHvA) results of Taillefer et al. This comparison indicates that the Fermi surface of the LAPW and LMTO-CC calculations can be put in quantitative agreement with experiment with adjustments of the bands of only approx.2mRy. More adjustments are needed in the LMTO-ASA case. There are still some possible ambiguities in assigning certain theoretical extremal orbits to experimental data which call for further angle-dependent dHvA experiments. Nevertheless, these results clearly indicate that the local-density energy bands give an accurate description of the Fermi surface and are an important ingredient in understanding the anomalous properties of UPt/sub 3/.

• Research Organization: Department of Physics and Astronomy, University of Maryland, College Park, Maryland 20742
• OSTI ID: 5924561
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 35:13; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
ACTINIDE ALLOYS
ALLOYS
BAND THEORY
DE HAAS-VAN ALPHEN EFFECT
ELECTRONIC STRUCTURE
ENERGY LEVELS
FERMI LEVEL
MATHEMATICS
MUFFIN-TIN POTENTIAL
PLATINUM ALLOYS
PLATINUM METAL ALLOYS
POTENTIALS
TOPOLOGY
URANIUM ALLOYS