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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 meals with strong electron-electron interactions, both the high resistivity and the large width of the Drude peak in these alloys results 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]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Brookhaven National Lab. (BNL), Upton, NY (United States)
Publication Date:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1557107
Alternate Identifier(s):
OSTI ID: 1557351
Report Number(s):
BNL-211959-2019-JAAM
Journal ID: ISSN 2469-9950; PRBMDO
Grant/Contract Number:  
SC0012704
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.
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. doi:10.1103/PhysRevB.100.075128.
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. doi:10.1103/PhysRevB.100.075128.
@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 meals with strong electron-electron interactions, both the high resistivity and the large width of the Drude peak in these alloys results 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 = {2019},
month = {8}
}

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Works referenced in this record:

Inhomogeneous Electron Gas
journal, November 1964