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Title: Transport Properties of Metallic Ruthenates: A DFT + DMFT Investigation

We present a systematical theoretical study on the transport properties of an archetypal family of Hund’s metals, Sr 2RuO 4, Sr 3Ru2O 7, SrRuO 3, and CaRuO 3, within the combination of first principles density functional theory and dynamical mean field theory. The agreement between theory and experiments for optical conductivity and resistivity is good, which indicates that electron-electron scattering dominates the transport of ruthenates. We demonstrate that in the single-site dynamical mean field approach the transport properties of Hund’s metals fall into the scenario of “resilient quasiparticles.” We explain why the single layered compound Sr 2RuO 4 has a relative weak correlation with respect to its siblings, which corroborates its good metallicity.
Authors:
 [1] ;  [1] ;  [2]
  1. Rutgers Univ., Piscataway, NJ (United States)
  2. Brookhaven National Lab. (BNL), Upton, NY (United States); Rutgers Univ., Piscataway, NJ (United States)
Publication Date:
Report Number(s):
BNL-114799-2017-JAAM
Journal ID: ISSN 0031-9007; PRLTAO; TRN: US1802016
Grant/Contract Number:
SC0012704
Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 116; Journal Issue: 25; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Research Org:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
OSTI Identifier:
1425050

Deng, Xiaoyu, Haule, Kristjan, and Kotliar, Gabriel. Transport Properties of Metallic Ruthenates: A DFT+DMFT Investigation. United States: N. p., Web. doi:10.1103/PhysRevLett.116.256401.
Deng, Xiaoyu, Haule, Kristjan, & Kotliar, Gabriel. Transport Properties of Metallic Ruthenates: A DFT+DMFT Investigation. United States. doi:10.1103/PhysRevLett.116.256401.
Deng, Xiaoyu, Haule, Kristjan, and Kotliar, Gabriel. 2016. "Transport Properties of Metallic Ruthenates: A DFT+DMFT Investigation". United States. doi:10.1103/PhysRevLett.116.256401. https://www.osti.gov/servlets/purl/1425050.
@article{osti_1425050,
title = {Transport Properties of Metallic Ruthenates: A DFT+DMFT Investigation},
author = {Deng, Xiaoyu and Haule, Kristjan and Kotliar, Gabriel},
abstractNote = {We present a systematical theoretical study on the transport properties of an archetypal family of Hund’s metals, Sr2RuO4, Sr3Ru2O7, SrRuO3, and CaRuO3, within the combination of first principles density functional theory and dynamical mean field theory. The agreement between theory and experiments for optical conductivity and resistivity is good, which indicates that electron-electron scattering dominates the transport of ruthenates. We demonstrate that in the single-site dynamical mean field approach the transport properties of Hund’s metals fall into the scenario of “resilient quasiparticles.” We explain why the single layered compound Sr2RuO4 has a relative weak correlation with respect to its siblings, which corroborates its good metallicity.},
doi = {10.1103/PhysRevLett.116.256401},
journal = {Physical Review Letters},
number = 25,
volume = 116,
place = {United States},
year = {2016},
month = {6}
}