pith. sign in

arxiv: 1906.10222 · v1 · pith:VYZ6YDAXnew · submitted 2019-06-24 · ❄️ cond-mat.mtrl-sci

Electrical and magnetic properties of thin films of the spin-filter material CrVTiAl

Gregory M. Stephen , Christopher Lane , Gianina Buda , David Graf , Stanislaw Kaprzyk , Bernardo Barbiellini , Arun Bansil , Don Heiman This is my paper

Pith reviewed 2026-05-25 16:57 UTC · model grok-4.3

classification ❄️ cond-mat.mtrl-sci
keywords CrVTiAlspin-filter materialthin filmscompensated ferrimagnettwo-channel conductiondensity functional theoryspin-gapless semiconductormagnetoresistance
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The pith

Thin films of CrVTiAl exhibit two-channel semiconducting transport consisting of one gapless disordered channel and one gapped channel with activation energy 0.1-0.2 eV.

A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.

The paper establishes that thin films of compensated-ferrimagnetic CrVTiAl display electrical resistivity that decomposes into two parallel channels, one gapless and disordered and the other thermally activated with an energy scale of roughly 0.1 to 0.2 eV. High-field magnetoresistance measurements extract mobilities for the gapless channel and indicate an order-of-magnitude difference in effective masses that is consistent with the authors' density-functional-theory results. The same calculations map three distinct electronic phases—metallic, spin-gapless, and spin-filtering—onto different permutations of the four atomic species along the (111) body diagonal and show that the spin-gapless phase survives moderate substitutional disorder. A sympathetic reader would care because the spin-filtering phase supplies a nonmagnetic route to room-temperature spin-polarized current.

Core claim

Thin films of CrVTiAl display two-channel semiconducting resistivity arising from a disordered gapless channel and a gapped channel with activation energy ΔE ≈ 0.1-0.2 eV. Magnetoresistance measurements to 35 T yield mobilities for the gapless channel that imply differing effective masses in rough agreement with DFT. DFT computations for (111) sublattice permutations produce metallic (Cr-V-Al-Ti), spin-gapless (Cr-V-Ti-Al), and spin-filtering (Cr-Ti-V-Al) phases, with the spin-gapless phase remaining robust under substitutional disorder.

What carries the argument

Two-channel conduction model together with density-functional-theory band structures computed for the three distinct (111) permutations of the Cr, V, Ti, Al sublattices.

If this is right

  • The gapped channel activates thermally with an energy of 0.1-0.2 eV while the second channel remains gapless and disordered.
  • Effective masses in the two channels differ by roughly an order of magnitude, as inferred from the extracted mobilities.
  • Atomic ordering along the (111) direction can select metallic, spin-gapless, or spin-filtering electronic behavior.
  • The spin-gapless phase tolerates a degree of substitutional disorder without losing its character.

Where Pith is reading between the lines

These are editorial extensions of the paper, not claims the author makes directly.

  • Stabilizing the spin-filtering atomic arrangement in thin films would allow fabrication of room-temperature spin injectors that require no external magnetic field.
  • Measuring the sign and magnitude of the spin polarization directly in devices patterned from these films would test whether the theoretical spin-filtering phase is realized.
  • Surveying additional crystal directions or small changes in stoichiometry could locate phases with larger gaps or higher Curie temperatures.

Load-bearing premise

The measured resistivity versus temperature can be decomposed into the sum of two independent parallel channels without significant inter-channel scattering or other conduction mechanisms that dominate in the experimental temperature window.

What would settle it

A resistivity-versus-temperature curve that cannot be fit by any combination of a gapless (temperature-independent or power-law) term plus an activated exponential term with activation energy near 0.1-0.2 eV, or a direct measurement showing strong inter-channel scattering.

Figures

Figures reproduced from arXiv: 1906.10222 by Arun Bansil, Bernardo Barbiellini, Christopher Lane, David Graf, Don Heiman, Gianina Buda, Gregory M. Stephen, Stanislaw Kaprzyk.

Figure 1
Figure 1. Figure 1: FIG. 1. Schematic of a spin-filter device. The SFM is sand [PITH_FULL_IMAGE:figures/full_fig_p001_1.png] view at source ↗
Figure 2
Figure 2. Figure 2: FIG. 2. Zero-field conductivity versus temperature for three [PITH_FULL_IMAGE:figures/full_fig_p002_2.png] view at source ↗
Figure 3
Figure 3. Figure 3: FIG. 3. Magnetoresistance as a function of applied field for CrVTiAl films (labeled F400, F600, and F700; as described in the [PITH_FULL_IMAGE:figures/full_fig_p003_3.png] view at source ↗
Figure 4
Figure 4. Figure 4: FIG. 4. (left) Electron mobilities for the light (blue) and [PITH_FULL_IMAGE:figures/full_fig_p003_4.png] view at source ↗
Figure 5
Figure 5. Figure 5: FIG. 5. Hall resistivity of CrVTiAl films as a function of field [PITH_FULL_IMAGE:figures/full_fig_p004_5.png] view at source ↗
Figure 6
Figure 6. Figure 6: FIG. 6. Relative change in magnetization of CrVTiAl as a [PITH_FULL_IMAGE:figures/full_fig_p005_6.png] view at source ↗
Figure 7
Figure 7. Figure 7: FIG. 7. (a)-(c) Site-projected densities of states, and (d)-(f) crystal structures for various arrangements of Cr, V, Ti, and Al. [PITH_FULL_IMAGE:figures/full_fig_p006_7.png] view at source ↗
Figure 8
Figure 8. Figure 8: FIG. 8. Total densities of states for various structures of CrV [PITH_FULL_IMAGE:figures/full_fig_p007_8.png] view at source ↗
read the original abstract

The spin-filter material CrVTiAl is a promising candidate for producing highly spin-polarized currents at room temperature in a nonmagnetic architecture. Thin films of compensated-ferrimagnetic CrVTiAl have been grown and their electrical and magnetic properties have been studied. The resistivity shows two-channel semiconducting behavior with one disordered gapless channel and a gapped channel with activation energy $\Delta E$=~0.1~-~0.2~eV. Magnetoresistance measurements to B~=~35~T provide values for the mobilities of the gapless channel, leading to an order of magnitude difference in the carrier effective masses, which are in reasonable accord with our density-functional-theory based results. The density of states and electronic band structure is computed for permutations of the four sublattices arranged differently along the (111) body diagonal, yielding metallic (Cr-V-Al-Ti), spin-gapless (Cr-V-Ti-Al) and spin-filtering (Cr-Ti-V-Al) phases. Robustness of the spin-gapless phase to substitutional disorder is also considered.

Editorial analysis

A structured set of objections, weighed in public.

Desk editor's note, referee report, simulated authors' rebuttal, and a circularity audit. Tearing a paper down is the easy half of reading it; the pith above is the substance, this is the friction.

Referee Report

2 major / 2 minor

Summary. The manuscript reports growth and characterization of thin films of compensated-ferrimagnetic CrVTiAl. It claims observation of two-channel semiconducting resistivity consisting of one disordered gapless channel and one gapped channel with activation energy ΔE ≈ 0.1–0.2 eV. High-field (35 T) magnetoresistance data are used to extract mobilities of the gapless channel, yielding an order-of-magnitude difference in effective masses that is stated to be in reasonable accord with DFT. DFT calculations for (111) sublattice permutations are reported to produce metallic (Cr-V-Al-Ti), spin-gapless (Cr-V-Ti-Al), and spin-filtering (Cr-Ti-V-Al) phases, with additional discussion of robustness to substitutional disorder.

Significance. If the two-channel decomposition is validated, the results would provide experimental support for CrVTiAl thin films as a room-temperature spin-filter material in a nonmagnetic architecture, with the DFT survey of ordering permutations offering a useful map of possible electronic phases. The post-hoc effective-mass comparison between transport and DFT is a modest positive feature, though it does not constitute a parameter-free prediction.

major comments (2)
  1. [Abstract / resistivity section] Abstract and resistivity analysis: the two-channel parallel-channel model (gapless disordered + thermally activated gapped with ΔE ~0.1–0.2 eV) is presented as the basis for all subsequent mobility extraction and effective-mass comparison, yet no residual analysis, explicit fitting procedure, error bars on ΔE, or comparison against single-channel or variable-range-hopping alternatives is supplied. This assumption is load-bearing for the central experimental claim.
  2. [Magnetoresistance analysis] Magnetoresistance and mobility extraction: the 35 T MR data are used to obtain mobilities of the gapless channel under the two-channel framework, but without shown validation that inter-channel scattering is negligible or that the decomposition remains valid across the measured temperature window, the reported mobility ratio and effective-mass difference rest on an untested premise.
minor comments (2)
  1. [Abstract] Sample characterization details (thickness uniformity, phase purity, disorder level) are not summarized in the abstract and should be added for reproducibility.
  2. [DFT calculations] The DFT section would benefit from explicit statement of the exchange-correlation functional, k-point mesh, and convergence criteria used for the different permutations.

Simulated Author's Rebuttal

2 responses · 0 unresolved

We thank the referee for the thoughtful and detailed review. The comments correctly identify that the two-channel model is central to the claims and that additional validation would strengthen the manuscript. We respond to each major comment below and will incorporate revisions as indicated.

read point-by-point responses

  1. Referee: [Abstract / resistivity section] Abstract and resistivity analysis: the two-channel parallel-channel model (gapless disordered + thermally activated gapped with ΔE ~0.1–0.2 eV) is presented as the basis for all subsequent mobility extraction and effective-mass comparison, yet no residual analysis, explicit fitting procedure, error bars on ΔE, or comparison against single-channel or variable-range-hopping alternatives is supplied. This assumption is load-bearing for the central experimental claim.

    Authors: We agree that the manuscript would be improved by explicit documentation of the fitting procedure and validation of the model choice. In the revised version we will add: (i) the explicit functional form and fitting routine used for the two-channel decomposition, (ii) residual plots for representative data sets, (iii) error bars on the extracted activation energies ΔE, and (iv) direct comparisons of fit quality against single-channel activated and variable-range-hopping models. These additions will allow readers to assess the robustness of the two-channel description. revision: yes

  2. Referee: [Magnetoresistance analysis] Magnetoresistance and mobility extraction: the 35 T MR data are used to obtain mobilities of the gapless channel under the two-channel framework, but without shown validation that inter-channel scattering is negligible or that the decomposition remains valid across the measured temperature window, the reported mobility ratio and effective-mass difference rest on an untested premise.

    Authors: The referee correctly notes that the high-field MR analysis assumes the two-channel decomposition remains valid and that inter-channel scattering can be neglected. While the 35 T data are taken at temperatures where the gapped channel is largely frozen out, we acknowledge that explicit checks (e.g., consistency of extracted mobilities across the temperature window or estimates of inter-channel scattering rates) are not provided. In revision we will add a dedicated paragraph discussing the temperature range of validity and any supporting evidence or caveats for the negligible-scattering assumption. The effective-mass comparison itself is presented only as order-of-magnitude consistency with DFT rather than a quantitative prediction. revision: partial

Circularity Check

0 steps flagged

No significant circularity detected

full rationale

The paper reports direct experimental resistivity and magnetoresistance measurements on thin films, with activation energies extracted from standard Arrhenius analysis of the data and mobilities from high-field MR. DFT computations for (111) permutations are independent first-principles calculations yielding metallic, spin-gapless, and spin-filter phases. No equations reduce a claimed prediction to a fitted input by construction, no self-citations are load-bearing for central claims, and no ansatz or uniqueness theorem is smuggled via prior author work. The two-channel decomposition is an interpretive model applied to data rather than a self-referential definition. The derivation chain remains self-contained against external benchmarks.

Axiom & Free-Parameter Ledger

1 free parameters · 2 axioms · 0 invented entities

Paper rests on standard DFT band-structure approximations and the two-channel conduction model; no new entities postulated and no free parameters beyond the measured activation energy.

free parameters (1)
  • activation energy ΔE
    Extracted from Arrhenius fit to resistivity in the gapped channel; value 0.1-0.2 eV is reported as measured range.
axioms (2)
  • domain assumption Density-functional theory with standard exchange-correlation functionals yields reliable relative ordering of metallic, spin-gapless, and spin-filter phases for the four sublattice permutations.
    Invoked when computing DOS and band structure for the (111) arrangements.
  • ad hoc to paper Resistivity can be modeled as two independent parallel channels without inter-channel scattering terms.
    Central to interpreting the temperature dependence as gapless plus gapped.

pith-pipeline@v0.9.0 · 5748 in / 1535 out tokens · 32875 ms · 2026-05-25T16:57:30.204397+00:00 · methodology

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Reference graph

Works this paper leans on

40 extracted references · 40 canonical work pages

  1. [1]

    author author S. A. \ Wolf , author D. D. \ Awschalom , author R. A. \ Buhrman , author J. M. \ Daughton , author S. von Moln \' a r , author M. L. \ Roukes , author A. Y. \ Chtchelkanova , \ and\ author D. M. \ Treger ,\ 10.1126/science.1065389 journal journal Science \ volume 294 ,\ pages 1488 ( year 2001 ) NoStop

    work page doi:10.1126/science.1065389 2001

  2. [2]

    Z uti \' c , author J

    author author I. Z uti \' c , author J. Fabian , \ and\ author S. Das Sarma ,\ @noop journal journal Rev. Mod. Phys. \ volume 76 ,\ pages 323 ( year 2004 ) NoStop

    work page 2004

  3. [3]

    author author J. S. \ Moodera , author X. Hao , author G. A. \ Gibson , \ and\ author R. Meservey ,\ @noop journal journal Phys. Rev. Lett. \ volume 61 ,\ pages 637 ( year 1988 ) NoStop

    work page 1988

  4. [4]

    author author J. S. \ Moodera , author G. X. \ Miao , \ and\ author T. S. \ Santos ,\ @noop journal journal Phys. Today \ volume 63 ,\ pages 46 ( year 2010 ) NoStop

    work page 2010

  5. [5]

    author author T. S. \ Santos \ and\ author J. S. \ Moodera ,\ @noop journal journal Phys. Rev. B \ volume 69 ,\ pages 241203(R) ( year 2004 ) NoStop

    work page 2004

  6. [6]

    Felser , author L

    author author C. Felser , author L. Wollmann , author S. Chadov , author G. H. \ Fecher , \ and\ author S. S. P. \ Parkin ,\ @noop journal journal APL Mater. \ volume 3 ,\ pages 041518 ( year 2015 ) NoStop

    work page 2015

  7. [7]

    Graf , author S

    author author T. Graf , author S. S. P. \ Parkin , \ and\ author C. Felser ,\ 10.1109/TMAG.2010.2096229 journal journal IEEE Trans. Magn. \ volume 47 ,\ pages 367 ( year 2011 ) NoStop

    work page doi:10.1109/tmag.2010.2096229 2010

  8. [8]

    Bainsla \ and\ author K

    author author L. Bainsla \ and\ author K. G. \ Suresh ,\ 10.1063/1.4959093 journal journal Appl. Phys. Rev. \ volume 3 ,\ pages 031101 ( year 2016 ) NoStop

    work page doi:10.1063/1.4959093 2016

  9. [9]

    Galanakis , author K

    author author I. Galanakis , author K. \" O zdo g an , \ and\ author E. S a s o g lu ,\ 10.1063/1.4823820 journal journal Appl. Phys. Lett. \ volume 103 ,\ pages 142404 ( year 2013 ) NoStop

    work page doi:10.1063/1.4823820 2013

  10. [10]

    Galanakis , author K

    author author I. Galanakis , author K. \" O zdo g an , \ and\ author E. S a s o g lu ,\ @noop journal journal J. Phys. Condens. Matter \ volume 26 ,\ pages 086003 ( year 2014 ) NoStop

    work page 2014

  11. [11]

    author author H. Y. \ Jia , author X. F. \ Dai , author L. Y. \ Wang , author R. Liu , author X. T. \ Wang , author P. P. \ Li , author Y. T. \ Cui , \ and\ author G. D. \ Liu ,\ @noop journal journal J. Magn. Magn. Mater. \ volume 367 ,\ pages 33 ( year 2014 ) NoStop

    work page 2014

  12. [12]

    \" O zdo g an , author E

    author author K. \" O zdo g an , author E. S a s o g lu , \ and\ author I. Galanakis ,\ @noop journal journal Comput. Mater. Sci. \ volume 110 ,\ pages 77 ( year 2015 ) NoStop

    work page 2015

  13. [13]

    author author G. M. \ Stephen , author I. McDonald , author B. Lejeune , author L. H. \ Lewis , \ and\ author D. Heiman ,\ @noop journal journal Appl. Phys. Lett. \ volume 109 ,\ pages 242401 ( year 2016 ) NoStop

    work page 2016

  14. [14]

    Venkateswara , author S

    author author Y. Venkateswara , author S. Gupta , author S. S. \ Samatham , author M. R. \ Varma , author Enamullah , author K. G. \ Suresh , \ and\ author A. Alam ,\ @noop journal journal Phys. Rev. B \ volume 97 ,\ pages 054407 ( year 2018 ) NoStop

    work page 2018

  15. [15]

    author author G. M. \ Stephen , author G. Buda , author M. E. \ Jamer , author C. Lane , author S. Kaprzyk , author D. Graf , author L. H. \ Lewis , author A. Bansil , \ and\ author D. Heiman ,\ @noop journal journal J. Appl. Phys. \ volume 125 ,\ pages 123903 ( year 2019 ) NoStop

    work page 2019

  16. [16]

    author author B. A. \ Assaf , author T. Cardinal , author P. Wei , author F. Katmis , author J. S. \ Moodera , \ and\ author D. Heiman ,\ @noop journal journal Rev. Sci. Instrum. \ volume 83 ,\ pages 129 ( year 2012 ) NoStop

    work page 2012

  17. [17]

    author author X. L. \ Wang ,\ @noop journal journal Phys. Rev. Lett. \ volume 100 ,\ pages 156404 ( year 2008 ) NoStop

    work page 2008

  18. [18]

    author author M. E. \ Jamer , author B. A. \ Assaf , author T. Devakul , \ and\ author D. Heiman ,\ @noop journal journal Appl. Phys. Lett. \ volume 103 ,\ pages 142403 ( year 2013 ) NoStop

    work page 2013

  19. [19]

    Kharel , author W

    author author P. Kharel , author W. Zhang , author R. Skomski , author S. Valloppilly , author Y. Huh , author R. Fuglsby , author S. Gilbert , \ and\ author D. J. \ Sellmyer ,\ @noop journal journal J. Phys. D. Appl. Phys. \ volume 48 ,\ pages 245002 ( year 2015 ) NoStop

    work page 2015

  20. [20]

    Ashcroft and N.D

    author author N.W. Ashcroft and N.D. Mermin ,\ @noop title Solid State Physics \ ( publisher Saunders College ,\ address Philadelphia ,\ year 1976 ) NoStop

    work page 1976

  21. [21]

    Hikami , author A

    author author S. Hikami , author A. I. \ Larkin , \ and\ author Y. Nagaoka ,\ @noop journal journal Prog. Theor. Phys. \ volume 63 ,\ pages 707 ( year 1980 ) NoStop

    work page 1980

  22. [22]

    author author A. K. \ Nayak , author M. Nicklas , author S. Chadov , author P. Khuntia , author C. Shekhar , author A. Kalache , author M. Baenitz , author Y. Skourski , author V. K. \ Guduru , author A. Puri , author U. Zeitler , author J. M. D. \ Coey , \ and\ author C. Felser ,\ 10.1038/nmat4248 journal journal Nature Materials \ volume 14 ,\ pages 679...

    work page doi:10.1038/nmat4248 2015

  23. [23]

    Stinshoff , author A

    author author R. Stinshoff , author A. K. \ Nayak , author G. H. \ Fecher , author B. Balke , author S. Ouardi , author Y. Skourski , author T. Nakamura , \ and\ author C. Felser ,\ @noop journal journal Phys. Rev. B \ volume 95 ,\ pages 060410(R) ( year 2017 ) NoStop

    work page 2017

  24. [24]

    Kresse \ and\ author J

    author author G. Kresse \ and\ author J. Furthm \" u ller ,\ 10.1103/PhysRevB.54.11169 journal journal Phys. Rev. B \ volume 54 ,\ pages 11169 ( year 1996 ) NoStop

    work page doi:10.1103/physrevb.54.11169 1996

  25. [25]

    Kresse \ and\ author J

    author author G. Kresse \ and\ author J. Hafner ,\ 10.1103/PhysRevB.48.13115 journal journal Phys. Rev. B \ volume 48 ,\ pages 13115 ( year 1993 ) NoStop

    work page doi:10.1103/physrevb.48.13115 1993

  26. [26]

    Kresse \ and\ author D

    author author G. Kresse \ and\ author D. Joubert ,\ @noop journal journal Phys. Rev. B \ volume 59 ,\ pages 1758 ( year 1999 ) NoStop

    work page 1999

  27. [27]

    Sun , author A

    author author J. Sun , author A. Ruzsinszky , \ and\ author J. P. \ Perdew ,\ @noop journal journal Phys. Rev. Lett. \ volume 115 ,\ pages 036402 ( year 2015 ) NoStop

    work page 2015

  28. [28]

    o m , \ and\ author J. Bj \

    author author P. V. C. \ Medeiros , author S. Stafstr \" o m , \ and\ author J. Bj \" o rk ,\ 10.1103/PhysRevB.89.041407 journal journal Phys. Rev. B \ volume 89 ,\ pages 041407 ( year 2014 ) NoStop

    work page doi:10.1103/physrevb.89.041407 2014

  29. [29]

    o m , \ and\ author J. Bj \

    author author P. V. C. \ Medeiros , author S. S. \ Tsirkin , author S. Stafstr \" o m , \ and\ author J. Bj \" o rk ,\ 10.1103/PhysRevB.91.041116 journal journal Phys. Rev. B \ volume 91 ,\ pages 041116 ( year 2015 ) NoStop

    work page doi:10.1103/physrevb.91.041116 2015

  30. [30]

    author author A. R. \ Williams , author R. Zeller , author V. L. \ Moruzzi , author C. D. \ Gelatt , \ and\ author J. Kubler ,\ 10.1063/1.329617 journal journal J. Appl. Phys. \ volume 52 ,\ pages 2067 ( year 1981 ) NoStop

    work page doi:10.1063/1.329617 2067

  31. [31]

    \" O zdo g an , author E

    author author K. \" O zdo g an , author E. S a s o g lu , \ and\ author I. Galanakis ,\ @noop journal journal J. Appl. Phys. \ volume 113 ,\ pages 193903 ( year 2013 ) NoStop

    work page 2013

  32. [32]

    Skaftouros , author K

    author author S. Skaftouros , author K. \" O zdo g an , author E. S a s o g lu , \ and\ author I. Galanakis ,\ 10.1103/PhysRevB.87.024420 journal journal Phys. Rev. B \ volume 87 ,\ pages 024420 ( year 2013 ) NoStop

    work page doi:10.1103/physrevb.87.024420 2013

  33. [33]

    Bansil ,\ @noop journal journal Phys

    author author A. Bansil ,\ @noop journal journal Phys. Rev. B \ volume 20 ,\ pages 4025 ( year 1979 a ) NoStop

    work page 1979

  34. [34]

    Bansil ,\ @noop journal journal Phys

    author author A. Bansil ,\ @noop journal journal Phys. Rev. B \ volume 20 ,\ pages 4035 ( year 1979 b ) NoStop

    work page 1979

  35. [35]

    Bansil , author R

    author author A. Bansil , author R. S. \ Rao , author P. E. \ Mijnarends , \ and\ author L. Schwartz ,\ @noop journal journal Phys. Rev. B \ volume 23 ,\ pages 3608 ( year 1981 ) NoStop

    work page 1981

  36. [36]

    Bansil , author S

    author author A. Bansil , author S. Kaprzyk , author P. E. \ Mijnarends , \ and\ author J. Tobola ,\ @noop journal journal Phys. Rev. B \ volume 60 ,\ pages 13396 ( year 1999 ) NoStop

    work page 1999

  37. [37]

    Bansil ,\ @noop journal journal Zeitschrift f \" u r Naturforsch

    author author A. Bansil ,\ @noop journal journal Zeitschrift f \" u r Naturforsch. A \ volume 48 ,\ pages 165 ( year 1993 ) NoStop

    work page 1993

  38. [38]

    Gonis ,\ @noop title Green functions for ordered and disordered systems \ ( publisher North-Holland ,\ year 1992 )\ p.\ pages 694 NoStop

    author author A. Gonis ,\ @noop title Green functions for ordered and disordered systems \ ( publisher North-Holland ,\ year 1992 )\ p.\ pages 694 NoStop

    work page 1992

  39. [39]

    author author J. P. \ Perdew \ and\ author A. Zunger ,\ @noop journal journal Phys. Rev. B \ volume 23 ,\ pages 5048 ( year 1981 ) NoStop

    work page 1981

  40. [40]

    fig:dos_struct (b) were performed using the new SCAN meta-GGA functional which captures stronger AFM coupling, as compared to those predicted by LDA in Fig

    @noop note The calculations in Fig. fig:dos_struct (b) were performed using the new SCAN meta-GGA functional which captures stronger AFM coupling, as compared to those predicted by LDA in Fig. fig:doskkr (a), along with various local onsite potential renormalizations. Together, this results in the band shifts observed when comparing Figs. fig:dos_struct (...

    work page