According to earlier first-principles calculations, the spin-disorder contribution to the resistivity of rare-earth metals in the paramagnetic state is strongly underestimated if Matthiessen's rule is assumed to hold. To understand this discrepancy, the resistivity of paramagnetic Fe and Gd is evaluated by taking into account both spin and phonon disorder. Calculations are performed using the supercell approach within the linear muffin-tin orbital method. Phonon disorder is modeled by introducing random displacements of the atomic nuclei, and the results are compared with the case of fictitious Anderson disorder. In both cases the resistivity shows a nonlinear dependence on the square of the disorder potential, which is interpreted as a resistivity saturation effect. This effect is much stronger in Gd than in Fe. The non-linearity makes the phonon and spin-disorder contributions to the resistivity non-additive, and the standard procedure of extracting the spin-disorder resistivity by extrapolation from high temperatures becomes ambiguous. An "apparent" spin-disorder resistivity obtained through such extrapolation is in much better agreement with experiment compared to the results obtained by considering only spin disorder. By analyzing the spectral function of the paramagnetic Gd in the presence of Anderson disorder, the resistivity saturation is explained by the collapse of a large area of the Fermi surface due to the disorder-induced mixing between the electronic and hole sheets.
Saturation and negative temperature coefficient of electrical resistivity in liquid iron-sulfur alloys at high densities from first principles calculations
Phonon-limited resistivity of graphene by first-principle calculations: electron-phonon interactions, strain-induced gauge field and Boltzmann equation
Harvard University（哈佛大学）；Sabanci University（萨班哲大学）；Peking University（北京大学）；Delft University of Technology（代尔夫特理工大学）；ETH Zurich（苏黎世联邦理工学院）；University of Cambridge（剑桥大学）
本文提出量子声学非微扰方法，从 Fröhlich 模型出发解释奇异金属中的普朗克电阻率、极化子、电荷密度波和赝能隙，并揭示普朗克扩散作为 Anderson 局域化在动态介质中的推广。
