Electronic correlations in vanadium revealed by electron-positron annihilation measurements

Weber, J.; Benea, D.; Appelt, Wilhelm H.; Ceeh, Hubert; Kreuzpaintner, Wolfgang; Leitner, Michael; Vollhardt, D.; Hugenschmidt, C.; Chioncel, Liviu

doi:10.1103/physrevb.95.075119

Cited by 14 publications

(10 citation statements)

References 74 publications

(102 reference statements)

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“…2D-ACAR exploits the annihilation of electron-positron pairs to investigate the electronic structure [5,6,19,49]. After implantation into the sample, positrons thermalize within a few picoseconds and subsequently propagate in Bloch states, as they also feel the crystal potential.…”

Section: D-acarmentioning

confidence: 99%

“…Furthermore, both techniques enable the analysis of magnetic materials by spin-resolved measurements. There are numerous examples of the application of ACAR and Compton scattering on different material classes, including elemental crystals [5][6][7][8][9], alloys [10,11], magnetic compounds [12][13][14][15][16][17][18][19][20], heavy fermions [21], and superconductors [22][23][24]. A review on the applications of both techniques can be found in Ref.…”

Section: Introductionmentioning

confidence: 99%

“…This is why we call our method the direct inversion method (DIM). Similar approaches have been employed for 2D-to-3D reconstruction in 2D-ACAR [6,19,[29][30][31][32]. However, as all of those approaches use an entropylike, nonlinear regularization functional, iterative algorithms are required to find a reconstruction.…”

Section: Introductionmentioning

confidence: 99%

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Momentum density spectroscopy of Pd: Comparison of 2D-ACAR and Compton scattering using a 1D-to-2D reconstruction method

Ketels

Billington²,

Dugdale³

et al. 2021

Phys. Rev. B

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Two-dimensional (2D) angular correlation of annihilation radiation and Compton scattering are both powerful techniques to investigate the bulk electronic structure of crystalline solids through the momentum density of the electrons. Here we apply both methods to a single crystal of Pd to study the electron momentum density and the occupancy in the first Brillouin zone and to point out the complementary nature of the two techniques. To retrieve the 2D spectra from one-dimensional Compton profiles, a direct inversion method is implemented and benchmarked against the well-established Cormack's method. The comparison of experimental spectra with first-principles density functional theory calculations of the electron momentum density and the two photon momentum density clearly reveals the importance of positron probing effects on the determination of the electronic structure. While the calculations are in good agreement with the experimental data, our results highlight some significant discrepancies.

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Section: D-acarmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Momentum density spectroscopy of Pd: Comparison of 2D-ACAR and Compton scattering using a 1D-to-2D reconstruction method

Ketels

Billington²,

Dugdale³

et al. 2021

Phys. Rev. B

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“…However, the current DFT, GGA(+U) calculations limit themselves to the independent particle model, which may well be the reason why the Weyl points are not resolved in the momentum density spectra. In recent studies we partly include dynamical Coulomb interactions effects upon the 2D-ACAR spectra at least for the electronic subsystem 6,40 . Further work along the lines to include the direct electron-positron interaction is in progress.…”

Section: Discussionmentioning

confidence: 99%

Positron annihilation spectroscopy for the pure and Niobium doped ZrCo$_2$Sn Heusler compound

Benea¹,

Östlin²,

Weber³

et al. 2018

Preprint

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We perform spin-polarized two-dimensional angular correlation of annihilation radiation (2D-ACAR) calculations for the recently predicted ZrCo 2 Sn-Weyl Heusler compound within the density functional theory using the generalized gradient approximation (GGA) and its extension GGA+U.We confirm that within the GGA+U method, a pair of Weyl-points are revealed, and that by doping with Niobium, for the composition Nb 0.3 Zr 0.7 Co 2 Sn, the Weyl points are reaching the Fermi level. Our 2D-ACAR results indicate the existence of the Weyl points, however, within the present calculation, it is uncertain if the smearing at the Fermi level can be attributed to the positron wave function.

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“…This is why we call our method the Direct Inversion Method (DIM). Similar approaches have been employed for 2D-to-3D reconstruction in 2D-ACAR [6,19,[29][30][31][32]. However, as all of those approaches use an entropy-like, non-linear regularization functional, iterative algorithms are required to find a reconstruction.…”

Section: Introductionmentioning

confidence: 99%

Momentum Density Spectroscopy of Pd: Comparison of 2D-ACAR and Compton Scattering Using a New 1D-to-2D Reconstruction Method

Ketels,

Billington,

Dugdale

et al. 2021

Preprint

Self Cite

View full text Add to dashboard Cite

Two-dimensional angular correlation of annihilation radiation (2D-ACAR) and Compton scattering are both powerful techniques to investigate the bulk electronic structure of crystalline solids through the momentum density of the electrons. Here we apply both methods to a single crystal of Pd to study the electron momentum density and the occupancy in the first Brillouin zone, and to point out the complementary nature of the two techniques. To retrieve the 2D spectra from 1D Compton profiles, a new direct inversion method (DIM) is implemented and benchmarked against the well-established Cormack's method. The comparison of experimental spectra with first principles density functional theory calculations of the electron momentum density and the two photon momentum density clearly reveals the importance of positron probing effects on the determination of the electronic structure. While the calculations are in good agreement with the experimental data, our results highlight some significant discrepancies.

show abstract

Electronic correlations in vanadium revealed by electron-positron annihilation measurements

Cited by 14 publications

References 74 publications

Momentum density spectroscopy of Pd: Comparison of 2D-ACAR and Compton scattering using a 1D-to-2D reconstruction method

Momentum density spectroscopy of Pd: Comparison of 2D-ACAR and Compton scattering using a 1D-to-2D reconstruction method

Positron annihilation spectroscopy for the pure and Niobium doped ZrCo$_2$Sn Heusler compound

Momentum Density Spectroscopy of Pd: Comparison of 2D-ACAR and Compton Scattering Using a New 1D-to-2D Reconstruction Method

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