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Title: Optical conductivity of metal alloys with residual resistivities near or above the Mott-Ioffe-Regel limit

Abstract

Most interesting examples of violations of the Mott-Ioffe-Regel (MIR) resistivity limit are found in materials with strong electronic correlations that are not well understood by theory. We demonstrate that first principles theory can predict the experimentally observed frequency dependence of the optical conductivity for a novel class of metals where the residual resistivity is near or above the MIR limit, which we define as a “bad metal.” The predicted optical conductivity of a NiCoCr alloy is in good agreement with experiment. It is demonstrated that the width of the Drude peak describing the low-frequency part of optical conductivity is comparable to the Fermi energy. The latter, together with a mean free path comparable to the interatomic distance, indicates the absence of well-defined quasiparticles. In contrast to traditional bad metals with strong electron-electron interactions, both the high resistivity and the large width of the Drude peak in these alloys result from strong scattering on disordered atomic potentials that can be understood using modern density functionals.

Authors:
 [1]; ORCiD logo [2];  [1];  [1];  [1];  [1];  [1];  [1]
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  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Brookhaven National Lab. (BNL), Upton, NY (United States)
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Energy Dissipation to Defect Evolution (EDDE); Brookhaven National Laboratory (BNL), Upton, NY (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1557107
Alternate Identifier(s):
OSTI ID: 1557351; OSTI ID: 1557485
Report Number(s):
BNL-211959-2019-JAAM
Journal ID: ISSN 2469-9950; PRBMDO
Grant/Contract Number:  
SC0012704; AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 100; Journal Issue: 7; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Samolyuk, G. D., Homes, C. C., May, A. F., Mu, S., Jin, K., Bei, H., Stocks, G. M., and Sales, B. C. Optical conductivity of metal alloys with residual resistivities near or above the Mott-Ioffe-Regel limit. United States: N. p., 2019. Web. doi:10.1103/PhysRevB.100.075128.
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Samolyuk, G. D., Homes, C. C., May, A. F., Mu, S., Jin, K., Bei, H., Stocks, G. M., & Sales, B. C. Optical conductivity of metal alloys with residual resistivities near or above the Mott-Ioffe-Regel limit. United States. https://doi.org/10.1103/PhysRevB.100.075128
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Samolyuk, G. D., Homes, C. C., May, A. F., Mu, S., Jin, K., Bei, H., Stocks, G. M., and Sales, B. C. Wed . "Optical conductivity of metal alloys with residual resistivities near or above the Mott-Ioffe-Regel limit". United States. https://doi.org/10.1103/PhysRevB.100.075128. https://www.osti.gov/servlets/purl/1557107.
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@article{osti_1557107,
title = {Optical conductivity of metal alloys with residual resistivities near or above the Mott-Ioffe-Regel limit},
author = {Samolyuk, G. D. and Homes, C. C. and May, A. F. and Mu, S. and Jin, K. and Bei, H. and Stocks, G. M. and Sales, B. C.},
abstractNote = {Most interesting examples of violations of the Mott-Ioffe-Regel (MIR) resistivity limit are found in materials with strong electronic correlations that are not well understood by theory. We demonstrate that first principles theory can predict the experimentally observed frequency dependence of the optical conductivity for a novel class of metals where the residual resistivity is near or above the MIR limit, which we define as a “bad metal.” The predicted optical conductivity of a NiCoCr alloy is in good agreement with experiment. It is demonstrated that the width of the Drude peak describing the low-frequency part of optical conductivity is comparable to the Fermi energy. The latter, together with a mean free path comparable to the interatomic distance, indicates the absence of well-defined quasiparticles. In contrast to traditional bad metals with strong electron-electron interactions, both the high resistivity and the large width of the Drude peak in these alloys result from strong scattering on disordered atomic potentials that can be understood using modern density functionals.},
doi = {10.1103/PhysRevB.100.075128},
journal = {Physical Review B},
number = 7,
volume = 100,
place = {United States},
year = {Wed Aug 14 00:00:00 EDT 2019},
month = {Wed Aug 14 00:00:00 EDT 2019}
}
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Journal Article:
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Publisher's Version of Record
https://doi.org/10.1103/PhysRevB.100.075128
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Cited by: 5 works
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Figures / Tables:

v v: (a) Resistivity of NiCoCr below 50 K illustrating the T-linear dependence. Inset shows linear behavior persists to ≈ 0.5 K. Note, however that the total resistivity only changes by about 10% from 0.1 -300 K because of the large residual resistivity (See Fig. S1). The large residual resistivity ismore » due to the chemical disorder in this alloy and can be calculated using modern density functional theory. (b) Comparison of resistivity of NiCoCr with that of NiCoFe. The residual resistivity, ρ0, for NiCoFe is ≈ 5.3 μΩ cm as compared to ≈ 88 μΩ cm for NiCoCr. For T<15 K the resistivity of NiCoFe is accurately described by ρ0 + AT2, with A= 5.8 x 10-5(μΩ cm K-2). The T2 dependence of the resistivity of NiCoFe is consistent with the expectations of Fermi liquid theory. The coefficient A is about 2 times larger than the value for pure iron.« less
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    Extreme Fermi surface smearing in a maximally disordered concentrated solid solution
    text, January 2020

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      Figures / Tables found in this record:

      v (p. 5)figure
      Fig 2 (p. 9)figure
      Fig 3 (p. 10)figure
      Fig S1 (p. 16)figure
      Fig S2 (p. 16)figure
      Fig S3 (p. 17)figure
      Fig S4 (p. 17)figure
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