High-resolution Compton scattering study of the electron momentum density in Al

T. Ohata, M. Itou, I. Matsumoto, Y. Sakurai, H. Kawata, N. Shiotani, S. Kaprzyk, P. E. Mijnarends, and A. Bansil
Phys. Rev. B 62, 16528 – Published 15 December 2000
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Abstract

We report high-resolution Compton profiles (CP’s) of Al along the three principal symmetry directions at a photon energy of 59.38 keV, together with corresponding highly accurate theoretical profiles obtained within the local-density approximation (LDA) based band-theory framework. A good accord between theory and experiment is found with respect to the overall shapes of the CP’s and their first and second derivatives, as well as the anisotropies in the CP’s defined as differences between pairs of various CP’s. There are, however, discrepancies in that, in comparison to the LDA predictions, the measured profiles are lower at low momenta, show a Fermi cutoff that is broader, and display a tail that is higher at momenta above the Fermi momentum. A number of simple model calculations are carried out in order to gain insight into the nature of the underlying 3D momentum density in Al and the role of the Fermi surface in inducing fine structure in the CP’s. The present results when compared with those on Li show clearly that the size of discrepancies between theoretical and experimental CP’s is markedly smaller in Al than in Li. This indicates that, with increasing electron density, the conventional picture of the electron gas becomes more representative of the momentum density and that shortcomings of the LDA framework in describing the electron correlation effects become less important.

  • Received 12 May 2000

DOI:https://doi.org/10.1103/PhysRevB.62.16528

©2000 American Physical Society

Authors & Affiliations

T. Ohata and M. Itou

  • Japan Synchrotron Radiation Research Institute, Kamigouri, Akougun, Hyogo 678-12, Japan

I. Matsumoto

  • Department of Synchrotron Radiation Science, Graduate University for Advanced Studies, Tsukuba 305, Japan

Y. Sakurai

  • Japan Synchrotron Radiation Research Institute, Kamigouri, Akougun, Hyogo 678-12, Japan

H. Kawata

  • Institute of Materials Structure Science, High Energy Accelerator Research Organization, Tsukuba, Ibaraki 305, Japan

N. Shiotani

  • Tokyo University of Fisheries, Kounan, Minato, Tokyo 108, Japan

S. Kaprzyk

  • Academy of Mining and Metallurgy, aleja Mickiewicza 30, PL-30-059 Krakow, Poland
  • Department of Physics, Northeastern University, Boston, Massachusetts 02115

P. E. Mijnarends

  • Department of Physics, Northeastern University, Boston, Massachusetts 02115
  • Interfaculty Reactor Institute, Delft University of Technology, 2629 JB Delft, The Netherlands

A. Bansil

  • Department of Physics, Northeastern University, Boston, Massachusetts 02115

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Issue

Vol. 62, Iss. 24 — 15 December 2000

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