Evolution of the Fermi surface and the oscillatory exchange coupling across Cr and Cr-based alloys

Hughes, Rhidian; Dugdale, Stephen B; Major, Zs.; Alam, M. A.; Jarlborg, T.; Bruno, E.; Ginatempo, B.

doi:10.1103/physrevb.69.174406

Cited by 22 publications

(27 citation statements)

References 45 publications

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“…Judicious choice of projection direction can, in certain circumstances, reveal the FS directly [50]. Generally the superposition of FS features in ρ 2γ , due to the once-integrated nature of the projections measured in 2D-ACAR, could be considered a limitation of the positron technique.…”

Section: Reconstructionmentioning

confidence: 99%

Positron annihilation study of the Fermi surface of Ni₂MnGa

et al. 2012

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Section: Reconstructionmentioning

confidence: 99%

Positron annihilation study of the Fermi surface of Ni₂MnGa

et al. 2012

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“…Angle-resolved photoemission (ARPES) measurements of the electronic structure of Cr 1−x V x thin films [27,28] observe all of the dispersing bands and indicate a complete gapping of the electron jack and hole octahedron in the SDW phase. Measurements of the FS of Cr 1−x V x for 0 ≤ x ≤ 1 via two dimensional angular correlation of electron-positron annihilation radiation techniques (2D-ACAR) observed each of the FS sheets and carefully followed the evolution of the pocket of holes at the N-points for comparison to measurements of the giant magnetoresistance effect in multilayers with Cr spacers [29]. dHvA measurements in dilute V substituted samples (x < 0.01) observed small changes consistent with a reduction of Q SDW with x without a measurable change to the cross sectional area of the N-pockets of the Fermi surface [30].…”

Section: Introductionmentioning

confidence: 99%

Fermi surface ofCr1−xVxacross the quantum critical point

et al. 2010

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We have measured de Haas-van Alphen oscillations of Cr1−xVx, 0 ≤ x ≤ 0.05, at high fields for samples on both sides of the quantum critical point at xc = 0.035. For all samples we observe only those oscillations associated with a single small hole band with magnetic breakdown orbits of the reconstructed Fermi surface evident for x < xc. The absence of oscillations from Fermi surface sheets most responsible for the spin density wave (SDW) in Cr for x > xc is further evidence for strong fluctuation scattering of these charge carriers well into the paramagnetic regime. We find no significant mass enhancement of the carriers in the single observed band at any x. An anomalous field dependence of the dHvA signal for our x = 0.035 crystal at particular orientations of the magnetic field is identified as due to magnetic breakdown that we speculate results from a field induced SDW transition at high fields.

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“…Experimental measurements of the Fermi surface of Cr, Mo, and V have also been performed by the 2D-ACAR technique [4,9,29,30]. Strictly, it is the momentum distribution of the electrons as seen by the positron that is measured by this technique, from which the occupation density, and thereby the Fermi surface, can be obtained [31].…”

Section: Existing Experimental Measurementsmentioning

confidence: 99%

An investigation of the sensitivity of the Fermi surface to the treatment of exchange and correlation

Harris-Lee,

James,

Dugdale

2021

Preprint

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The Group V and VI transition metals share a common Fermi surface feature of hole ellipsoids at the N point in the Brillouin zone. In clear contrast to the other Fermi surface sheets, which are purely of d character, these arise from a band that has a significant proportion of p character. By performing local density approximation (LDA), generalized gradient approximation (GGA), strongly constrained and appropriately normed (SCAN) meta-GGA, and GW approximation calculations, we find that the p character part of this band (and therefore the Fermi surface) is particularly sensitive to the exchange-correlation approximation. LDA and GGA calculations inadequately describe this feature, predicting N hole ellipsoid sizes that are consistently too large in comparison to various experimental measurements, whereas quasiparticle self-consistent GW calculations predict a size that is slightly too small (and non-self-consistent GW calculations that use an LDA starting point predict a size that is much too small). Overall, for the metals tested here, SCAN provides the most accurate Fermi surface predictions, mostly correcting the discrepancies between measurements and calculations that were observed when LDA calculations were used. However, none of the tested exchange-correlation approximations succeeds in simultaneously bringing all of the measurable properties of these metals into good experimental agreement, particularly where magnetism is concerned. The SCAN calculations predict antiferromagnetic moments for Cr that are 3 times larger than the experimental value (1.90 µB compared to 0.62 µB).

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Evolution of the Fermi surface and the oscillatory exchange coupling across Cr and Cr-based alloys

Cited by 22 publications

References 45 publications

Positron annihilation study of the Fermi surface of Ni₂MnGa

Positron annihilation study of the Fermi surface of Ni₂MnGa

Fermi surface ofCr1−xVxacross the quantum critical point

An investigation of the sensitivity of the Fermi surface to the treatment of exchange and correlation

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Evolution of the Fermi surface and the oscillatory exchange coupling across Cr and Cr-based alloys

Cited by 22 publications

References 45 publications

Positron annihilation study of the Fermi surface of Ni2MnGa

Positron annihilation study of the Fermi surface of Ni2MnGa

Fermi surface ofCr1−xVxacross the quantum critical point

An investigation of the sensitivity of the Fermi surface to the treatment of exchange and correlation

Contact Info

Product

Resources

About

Positron annihilation study of the Fermi surface of Ni₂MnGa

Positron annihilation study of the Fermi surface of Ni₂MnGa