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Three-dimensional reconstruction of the Fermi surface of LaB6

M. Monge·M. Biasini·G. Kontrym-Sznajd·N. Sato
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Abstract

The 2-dimensional angular correlations of the positron annihilation radiation (2D-ACAR) on a single crystal of LaB6 was measured for three projections. The 2D-ACAR spectra were subjected to the Van Citter-Gerhard deconvolution alghorithm. From the experimental spectra we produced the 3D k-space density rho(k) via three different methods: i) we reconstructed the 3D electron-positron momentum density rho(p) via the Cormack method. rho(k) was then obtained by applying the 3D LCW transformation to rho(p). ii) The same steps of point i) were repeated adopting a modified Fourier-transform-based algorithm. iii) The 3d k-space occupancy rho(k) was obtained directly by parameterising the Fermi surface volume with prolate ellipsoids whose axes were determined by a least-square fit to the 2D LCW transformations applied to two high symmetry projections. The ellipsoids diameters along high symmetry directions of the cubic Brillouin zone (BZ), as a fraction of the BZ size, were 0.64 (dir. X-M) and 0.82 (dir. Gamma-X). The resulting Fermi volume, as a fraction of the BZ volume, was 0.55. These results agree within 1% with those obtained via the de Haas van Alphen experiments.

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M. Monge, M. Biasini, G. Kontrym-Sznajd, N. Sato. 2002-09-09. Three-dimensional reconstruction of the Fermi surface of LaB6. https://arxiv.org/abs/cond-mat/0209207

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