Electron momentum density and Compton profile by a semi-empirical approach

Aguiar, Julio C.; Mitnik, D. M.; Rocco, H. O. Di

doi:10.1016/j.jpcs.2015.03.023

Cited by 19 publications

(29 citation statements)

References 57 publications

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“…This will be demonstrated with the example of 4-SDs for tetragonal lattices while for the hcp symmetry we compare our proposals with those given in Refs [24] and [26].…”

Section: Hexagonal Tetragonal and Trigonal Structuressupporting

confidence: 55%

“…(3) has been used extensively in the theory of thermodynamic properties of crystals with cubic symmetry [8][9][10], the sum of plane waves over the BZ [11] as well as in studies of electronic properties via one-dimensional angular correlation of annihilation radiation [12][13][14][15], Compton scattering [16][17][18][19][20][21][22][23][24][25] or positron Doppler broadening spectra [26]. In the latter case Eq.…”

Section: Introductionmentioning

confidence: 99%

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How to estimate isotropic distributions and mean values in crystalline solids

Kontrym‐Sznajd

Dugdale

2015

J. Phys.: Condens. Matter

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Abstract:The concept of special directions in the Brillouin zone and the applicability of Houston's formula (or its extended versions) to both theoretical and experimental investigations are discussed. We propose some expressions to describe the isotropic component in systems having both cubic and non-cubic symmetry.This results presented have implications for both experimentalists who want to obtain average properties from a small number of measurements on single crystals, and for theoretical calculations which are to be compared with isotropic experimental measurements, for example coming from investigations of polycrystalline or powder samples.

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“…This will be demonstrated with the example of 4-SDs for tetragonal lattices while for the hcp symmetry we compare our proposals with those given in Refs [24] and [26].…”

Section: Hexagonal Tetragonal and Trigonal Structuressupporting

confidence: 55%

Section: Introductionmentioning

confidence: 99%

How to estimate isotropic distributions and mean values in crystalline solids

Kontrym‐Sznajd

Dugdale

2015

J. Phys.: Condens. Matter

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“…Many aspects of physics, such as electron correlations [1,2], electron momentum distributions [3][4][5], Fermi surfaces [6], X-ray, and gamma-ray radiations [7][8][9], have been revealed through them. Moreover, Compton scatterings have been utilized to develop the modern gammaray spectrometer and imaging devices [10][11][12].…”

Section: Introductionmentioning

confidence: 99%

Relativistic impulse approximation in Compton scattering

Qiao

Chi²,

Zhang

et al. 2020

J. Phys. B: At. Mol. Opt. Phys.

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Relativistic impulse approximation (RIA) has been widely used in atomic, condensed matter, nuclear, and elementary particle physics. In former treatments of RIA formulation, differential cross sections for Compton scattering processes were factorized into atomic Compton profiles by performing further simplified approximations in the integration. In this study, we develop an "exact" numerical method without using any further simplified approximations or factorization treatments. The validity of the approximations and factorizations used in former RIA treatments can be tested using our approach. Calculations for C, Cu, Ge, and Xe atomic systems are carried out using Dirac-Fock wavefunctions, and comparisons between the proposed approach and former treatments of RIA are performed and discussed in detail. Numerical results indicate that these simplified approximations work reasonably in the Compton peak region, and our results have little difference with the best of the former RIA treatments in the entire energy region. While in regions far from the Compton peak, the RIA results become inaccurate, even when our "exact" numerical treatment is used.

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“…Later DFT studies involving more sophisticated functionals [41,42] describing the electron momentum density of a Fermi liquid found a sufficient agreement between experimental and theoretical results [17,33,35]. Recently Aguiar [43] proposed yet another semi-empirical parametrization of the electron momentum density of the Fermi liquid in order to describe the electron momentum densities and CPs for metals. This parametrization, however, does not take the directional anisotropy into account.…”

Section: Low Momenta Rangementioning

confidence: 99%