<b><i>Ab-initio</i></b>theory of temperature-dependent magneto-resistivities

Buruzs, Adam; Szunyogh, L.; Weinberger, P.

doi:10.1080/14786430802438200

Cited by 15 publications

(19 citation statements)

References 31 publications

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“…The resistivity is 85 µΩ cm, which agrees well both with supercell LB calculations 14 and with experiment, while the value obtained in Ref. 35 is almost twice larger. The origin of this disagreement is unclear.…”

Section: B Disordered Local Moment (Dlm) Modelsupporting

confidence: 79%

“…The first implementation of the DLM method for resistivity studies was done in Ref. 35. Our implementation of the linear response technique within the TB-LMTO-CPA method including disorder-induced vertex corrections is described in Refs.…”

Section: B Disordered Local Moment (Dlm) Modelmentioning

confidence: 99%

“…The method of Ref. 35 utilizes a hybrid method where the electronic structure is described by DLM method, but the resistivity is found from the slope in the multilayer geometry as a limit from large imaginary parts of the energy (1 and 2 mRy). This method also neglects vertex corrections, thus violating current conservation.…”

Section: B Disordered Local Moment (Dlm) Modelmentioning

confidence: 99%

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First-principles study of spin-disorder resistivity of heavy rare-earth metals: Gd–Tm series

et al. 2012

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Electrical resistivity of heavy rare-earth metals has a dominant contribution from thermal spin disorder scattering. Here this spin-disorder resistivity is calculated for the Gd-Tm series of metals in the paramagnetic state. Calculations are performed within the tight-binding linear muffin-tin orbital method using two complementary methods: (1) averaging of the Landauer-Büttiker conductance of a supercell over random noncollinear spin-disorder configurations, and (2) linear response calculations with the spin-disordered state described in the coherent potential approximation. The agreement between these two methods is found to be excellent. The spin-disorder resistivity in the series follows an almost universal dependence on the exchange splitting. While the crystallographic anisotropy of the spin-disorder resistivity agrees well with experiment, its magnitude is significantly underestimated compared to experiment. These results suggest that the classical picture of slowly rotating self-consistent local moments is inadequate for rare-earth metals. A simple quantum correction improves agreement with experiment but does not fully account for the discrepancy, suggesting that more complicated scattering mechanisms may be important.

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Section: B Disordered Local Moment (Dlm) Modelsupporting

confidence: 79%

Section: B Disordered Local Moment (Dlm) Modelmentioning

confidence: 99%

Section: B Disordered Local Moment (Dlm) Modelmentioning

confidence: 99%

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First-principles study of spin-disorder resistivity of heavy rare-earth metals: Gd–Tm series

et al. 2012

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“…Recently, Buruzs et al 34 calculated the SDR for Fe and Co using the DLM approach within the Korringa-KohnRostocker method and found that their method significantly overestimates the paramagnetic SDR in these metals. The source of disagreement with our supercell method for Fe is unknown to us.…”

Section: A Paramagnetic Statementioning

confidence: 99%

First-principles analysis of spin-disorder resistivity of Fe and Ni

Wysocki

Sabirianov²,

Schilfgaarde

et al. 2009

Phys. Rev. B

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Spin-disorder resistivity of Fe and Ni and its temperature dependence are analyzed using noncollinear density functional calculations within the supercell method. Different models of thermal spin disorder are considered, including the mean-field approximation and the nearest-neighbor Heisenberg model. If the local moments are kept frozen at their zero-temperature values, very good agreement with experiment is obtained for Fe but for Ni the resistivity at elevated temperatures is significantly overestimated. Agreement with experiment for Fe is improved if the local moments are made self-consistent. The effect of short-range order on spindisorder resistivity is more pronounced in Ni compared to Fe but it is too weak to explain the overestimation of the resistivity for paramagnetic Ni; the latter is therefore attributed to the reduction in the local moments down to 0.35 B . Overall, the results suggest that low-energy spin fluctuations in Fe and Ni are better viewed as classical rotations of local moments rather than quantized spin fluctuations that would require an ͑S +1͒ / S correction.

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“…15 the SDR was calculated using a hybrid method, in which the electronic structure is described by DLM, and the SDR is calculated in a multilayer geometry as an extrapolation from large values of the imaginary part of energy (1 and 2 mRy) without including vertex corrections. The resulting SDR of Fe and Co was strongly overestimated.…”

mentioning

confidence: 99%

Spin-disorder resistivity of ferromagnetic metals from first principles: The disordered-local-moment approach

et al. 2012

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The paramagnetic spin-disorder resistivity (SDR) of transition-metal ferromagnets Fe, Co, Ni, ordered transition metal alloys Ni3Mn and Fe3Si as well as Ni2MnX (X=In,Sn,Sb) Heusler alloys is determined from first principles. SDR is evaluated similar to the residual resistivity by using the disordered local moment (DLM) model combined with the Kubo-Greenwood linear response calculation. The electronic structure is determined within the tight-binding linear muffin-tin orbital method and the coherent potential approximation (CPA) applied to the DLM state. We also estimate the temperature dependence of the resistivity below the Curie temperature using a simple model. The results agree well with the supercell Landauer-Büttiker calculations and, generally, with experimental data. For the Ni2MnSb Heusler alloy it is necessary to include substitutional disorder of B2-type to explain the experimental data.

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Ab-initiotheory of temperature-dependent magneto-resistivities

Cited by 15 publications

References 31 publications

First-principles study of spin-disorder resistivity of heavy rare-earth metals: Gd–Tm series

First-principles study of spin-disorder resistivity of heavy rare-earth metals: Gd–Tm series

First-principles analysis of spin-disorder resistivity of Fe and Ni

Spin-disorder resistivity of ferromagnetic metals from first principles: The disordered-local-moment approach

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