Different ways of dealing with Compton scattering and positron annihilation experimental data

Different ways of dealing with one-dimensional (1D) spectra, measured e.g. in the Compton scattering or angular correlation of positron annihilation radiation (ACAR) experiments are presented. On the example of divalent hexagonal close packed metals it is shown what kind of information on the electronic structure one can get from 1D profiles, interpreted in terms of either 2D or 3D momentum densities. 2D and 3D densities are reconstructed from merely two and seven 1D profiles, respectively. Applied reconstruction techniques are particular solutions of the Radon transform in terms of orthogonal Gegenabauer polynomials. We propose their modification connected with so-called two-step reconstruction. The analysis is performed both in the extended p and reduced k zone schemes. It is demonstrated that if positron wave function or many-body effects are strongly momentum dependent, analysis of 2D densities folded into k space may lead to wrong conclusions concerning the Fermi surface. In the case of 2D ACAR data in Mg we found very strong many-body effects. PACS numbers: 71.18.+y, 13.60.Fz, 87.59.FmComment: 17 pages, 9 figure

Influence of experimental noise on densities reconstructed from line projections

The influence of experimental noise on densities rho(p) reconstructed by the Cormack method from their line projections, e.g. 2D ACAR spectra, is investigated. Simulations of statistical noise are performed for various sets of 2D spectra for two model rho(p) having the cubic symmetry. For the reconstructed densities propagation of the statistical error in terms of standard deviations, sigma[rho(p)], is estimated. We observe that the distribution of sigma[rho(p)] has its extremes along the main symmetry directions and also a tendency to accumulate for small p. Moreover, the more density components, rho_n(p), have to be taken to description of rho(p) the less anisotropic is the distribution of sigma[rho(p)]. Additionally, the error generated by the reconstruction method itself is discussed.Comment: 6 pages, 8 figure

Many-body effects observed in the positron annihilation experiment

This paper is devoted to study many-body effects in the positron annihilation experiment, both electron-positron (e-p) and electron-electron (e-e) correlations. Various theories of the e-p interaction in real solids were used to verify them by comparing theoretical and experimental e-p momentum densities in Cu and Y. We show that the lattice potential has an essential influence on the e-p correlation effects, i.e. their proper description must be done via periodic lattice potential as e.g. in the Bloch Modified Ladder (BML) theory. Moreover, it is not true that that the dynamic parts of the direct e-p and e-e interactions cancel each other because e-e correlations are observed not only in the Compton scattering but also in the positron annihilation experiments. Keywords: positron annihilation, Compton scattering, momentum densities, many-body effectsComment: 9 pages, 3 figure

Fermiology via the electron momentum distribution (Review Article)

Investigations of the Fermi surface via the electron momentum distribution reconstructed from either angular correlation of annihilation radiation or Compton scattering experimental spectra are presented. The basis of these experiments and mathematical methods applied in reconstructing three-dimensional electron momentum densities from line or plane projections measured in these experiments are described. Finally, papers where such techniques have been applied to study the Fermi surface of metallic materials are reviewed

On the reliability of linear band structure methods

We discuss an efficiency of various band structure algorithms in determining the Fermi surface (FS) of the paramagnetic ErGa3. The linear muffin-tin orbital (LMTO) in the atomic sphere approximation (ASA) method and three full potential (FP) codes: FP-LMTO, FP linear augmented plane wave (FLAPW), and FP local orbitals (FPLO) methods are employed. Results are compared with electron-positron (e-p) momentum densities reconstructed from two dimensional angular correlation of annihilation radiation (2D ACAR). Unexpectedly, none of used modern FP codes is able to give satisfying description of the experimental data that are in perfect agreement with LMTO-ASA results. We suspect that it can be connected with a different choice of the linearization energy.Comment: 6 pages, 2 figure