Dynamical many-body corrections to the residual resistivity of metals

被引:10
作者
Nazarov, V. U. [1 ]
Vignale, G. [2 ]
Chang, Y. -C. [1 ]
机构
[1] Acad Sinica, Res Ctr Appl Sci, Taipei 11529, Taiwan
[2] Univ Missouri, Dept Phys & Astron, Columbia, MO 65211 USA
关键词
DENSITY-FUNCTIONAL THEORY; AL; IMPURITIES; FORMULA;
D O I
10.1103/PhysRevB.89.241108
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The residual resistivity of metals at the absolute zero of temperature is usually understood in terms of electrons scattering from random impurities. This mechanism, however, does not take into account dynamical many-body effects, which cannot be described in terms of a static electron-impurity potential. Here we show that dynamical corrections to the resistivity, already known to play a role in nanoscale conductors, are of quantitative importance in the calculation of the residual resistivity of simple metals, and lead to a significantly improved agreement between theory and experiment in the case of impurities embedded in an Al host. Our calculations are based on a recently proposed form of the time-dependent many-body exchange-correlation potential, which is derived from the time-dependent current density functional theory. Surprisingly, we find that the largest correction to the residual resistivity arises from the real part of the exchange-correlation kernel of time-dependent current density functional theory, rather than from its imaginary part. This unexpected result is shown to be consistent with recent theories of the dynamical corrections to the resistivity of nanoscale conductors.
引用
收藏
页数:5
相关论文
共 50 条
  • [31] Excited states of biological chromophores studied using many-body perturbation theory: Effects of resonant-antiresonant coupling and dynamical screening
    Ma, Yuchen
    Rohlfing, Michael
    Molteni, Carla
    [J]. PHYSICAL REVIEW B, 2009, 80 (24)
  • [32] Communication: Random phase approximation renormalized many-body perturbation theory
    Bates, Jefferson E.
    Furche, Filipp
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2013, 139 (17)
  • [33] Many-body expansion of the Fock matrix in the fragment molecular orbital method
    Fedorov, Dmitri G.
    Kitaura, Kazuo
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2017, 147 (10)
  • [34] Many-body exchange-overlap interactions in rare gases and water
    Gillan, M. J.
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2014, 141 (22)
  • [35] Electronic properties of zircon and hafnon from many-body perturbation theory
    Shaltaf, R.
    Rangel, T.
    Gruning, M.
    Gonze, X.
    Rignanese, G. -M.
    Hamann, D. R.
    [J]. PHYSICAL REVIEW B, 2009, 79 (19):
  • [36] Many-body meets QM/MM: Application to indole in water solution
    Conte, Adriano Mosca
    Ippoliti, Emiliano
    Del Sole, Rodolfo
    Carloni, Paolo
    Pulci, Olivia
    [J]. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2010, 247 (08): : 1920 - 1924
  • [37] Parametrization of a reactive many-body potential for Mo-S systems
    Liang, Tao
    Phillpot, Simon R.
    Sinnott, Susan B.
    [J]. PHYSICAL REVIEW B, 2009, 79 (24)
  • [38] Divergence of Many-Body Perturbation Theory for Noncovalent Interactions of Large Molecules
    Nguyen, Brian D.
    Chen, Guo P.
    Agee, Matthew M.
    Burow, Asbjorn M.
    Tang, Matthew P.
    Furche, Filipp
    [J]. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2020, 16 (04) : 2258 - 2273
  • [39] Accurate and Efficient Method for Many-Body van der Waals Interactions
    Tkatchenko, Alexandre
    DiStasio, Robert A., Jr.
    Car, Roberto
    Scheffler, Matthias
    [J]. PHYSICAL REVIEW LETTERS, 2012, 108 (23)
  • [40] Many-body analysis and spectroscopic characterization of diazene oligomers: A theoretical study
    Kaluva, Sumalya
    Karri, Venkata Lakshmi
    Kharat, Bhagwat
    Naganathappa, Mahadevappa
    [J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2023, 287