skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

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); Oak Ridge National Lab. (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.
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. https://www.osti.gov/servlets/purl/1557107.
@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}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 1 work
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Similarity of Scattering Rates in Metals Showing T-Linear Resistivity
journal, February 2013


Ioffe-Regel criterion and resistivity of metals
journal, December 1981


Colloquium : Saturation of electrical resistivity
journal, October 2003


Theory of universal incoherent metallic transport
journal, December 2014


Superconductivity in Bad Metals
journal, April 1995


The Hubbard model - an introduction and selected rigorous results
journal, May 1998


Microstructural development in equiatomic multicomponent alloys
journal, July 2004


A fracture-resistant high-entropy alloy for cryogenic applications
journal, September 2014


Criteria for Predicting the Formation of Single-Phase High-Entropy Alloys
journal, March 2015

  • Troparevsky, M. Claudia; Morris, James R.; Kent, Paul R. C.
  • Physical Review X, Vol. 5, Issue 1
  • DOI: 10.1103/PhysRevX.5.011041

Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys
journal, October 2015

  • Zhang, Yanwen; Stocks, G. Malcolm; Jin, Ke
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms9736

Exceptional damage-tolerance of a medium-entropy alloy CrCoNi at cryogenic temperatures
journal, February 2016

  • Gludovatz, Bernd; Hohenwarter, Anton; Thurston, Keli V. S.
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms10602

Quantum critical behavior in the asymptotic limit of high disorder in the medium entropy alloy NiCoCr0.8
journal, June 2017


Uncovering electron scattering mechanisms in NiFeCoCrMn derived concentrated solid solution and high entropy alloys
journal, January 2019

  • Mu, Sai; Samolyuk, German D.; Wimmer, Sebastian
  • npj Computational Materials, Vol. 5, Issue 1
  • DOI: 10.1038/s41524-018-0138-z

Tailoring the physical properties of Ni-based single-phase equiatomic alloys by modifying the chemical complexity
journal, February 2016

  • Jin, K.; Sales, B. C.; Stocks, G. M.
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep20159

Exponent relations at quantum phase transitions with applications to metallic quantum ferromagnets
journal, June 2015


Temperature Dependence of the Electrical Resistivity of Pure Iron at Low Temperatures
journal, January 1978


Coherent-Potential Model of Substitutional Disordered Alloys
journal, April 1967


Vibrational Properties of Imperfect Crystals with Large Defect Concentrations
journal, April 1967


Complete Solution of the Korringa-Kohn-Rostoker Coherent-Potential-Approximation Equations: Cu-Ni Alloys
journal, July 1978


Optical properties of fourteen metals in the infrared and far infrared: Al, Co, Cu, Au, Fe, Pb, Mo, Ni, Pd, Pt, Ag, Ti, V, and W
journal, January 1985

  • Ordal, M. A.; Bell, Robert J.; Alexander, R. W.
  • Applied Optics, Vol. 24, Issue 24
  • DOI: 10.1364/AO.24.004493

Electron self-energy and generalized Drude formula for infrared conductivity of metals
journal, August 2015


Homogeneous Dynamical Conductivity of Simple Metals
journal, August 1972


Technique for measuring the reflectance of irregular, submillimeter-sized samples
journal, January 1993

  • Homes, Christopher C.; Reedyk, M.; Cradles, D. A.
  • Applied Optics, Vol. 32, Issue 16
  • DOI: 10.1364/AO.32.002976

New method for solving Boltzmann's equation for electrons in metals
journal, May 1978


Electron-phonon interactions and related physical properties of metals from linear-response theory
journal, December 1996


The Boltzmann Equation in the Theory of Electrical Conduction in Metals
journal, April 1958


Optical Conductivity of Disordered Alloys Calculated from First Principles
journal, March 1999


Interatomic electron transport by semiempirical and ab initio tight-binding approaches
journal, February 2002


Optical properties of random alloys: application to CuAu and NiPt
journal, July 2005


Calculating linear-response functions for finite temperatures on the basis of the alloy analogy model
journal, April 2015


Inhomogeneous Electron Gas
journal, November 1964


A local exchange-correlation potential for the spin polarized case. i
journal, July 1972


Ab Initio Calculation of the Gilbert Damping Parameter via the Linear Response Formalism
journal, August 2011


Impact of finite temperatures and correlations on the anomalous Hall conductivity from ab initio theory
journal, May 2013


Systematic Quantum Cluster Typical Medium Method for the Study of Localization in Strongly Disordered Electronic Systems
journal, November 2018

  • Terletska, Hanna; Zhang, Yi; Tam, Ka-Ming
  • Applied Sciences, Vol. 8, Issue 12
  • DOI: 10.3390/app8122401

Typical medium theory of Anderson localization: A local order parameter approach to strong-disorder effects
journal, April 2003

  • Dobrosavljević, V.; Pastor, A. A.; Nikolić, B. K.
  • Europhysics Letters (EPL), Vol. 62, Issue 1
  • DOI: 10.1209/epl/i2003-00364-5

Quantum Critical Behavior in a Concentrated Ternary Solid Solution
journal, May 2016

  • Sales, Brian C.; Jin, Ke; Bei, Hongbin
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep26179

Electron–phonon coupling in Ni-based binary alloys with application to displacement cascade modeling
journal, April 2016


The Stoner model in the spin-density-functional formalism
journal, July 1977


Optical conductivity of the stable icosahedral quasicrystal Al 63.5 Cu 24.5 Fe 12
journal, November 1991


Unconventional superconductivity in magic-angle graphene superlattices
journal, March 2018