Ab initio electronic relaxation times and transport in noble metals

Mustafa, Jamal I.; Bernardi, Marco; Neaton, Jeffrey B.; Louie, Steven G.

doi:10.1103/PhysRevB.94.155105

Title: Ab initio electronic relaxation times and transport in noble metals

Journal Article · Wed Oct 05 00:00:00 EDT 2016 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.94.155105· OSTI ID:1328538

Mustafa, Jamal I.; Bernardi, Marco; Neaton, Jeffrey B.; Louie, Steven G.

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Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1328538

Journal Information:: Physical Review B, Journal Name: Physical Review B Vol. 94 Journal Issue: 15; ISSN 2469-9950

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 44 works

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References (37)

Low-Field de Haas-van Alphen Effect and Fermi Surface in Ag and Au Joseph, A. S.; Thorsen, A. C. Physical Review Letters, Vol. 13, Issue 1 https://doi.org/10.1103/PhysRevLett.13.9	journal	July 1964
Band structure of gold from many-body perturbation theory Rangel, T.; Kecik, D.; Trevisanutto, P. E. Physical Review B, Vol. 86, Issue 12 https://doi.org/10.1103/PhysRevB.86.125125	journal	September 2012
Electron–Phonon Interactions and the Intrinsic Electrical Resistivity of Graphene Park, Cheol-Hwan; Bonini, Nicola; Sohier, Thibault Nano Letters, Vol. 14, Issue 3 https://doi.org/10.1021/nl402696q	journal	February 2014
The Fermi Surfaces of Copper, Silver and Gold II. Calculation of the Fermi Surfaces Roaf, D. J. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 255, Issue 1052 https://doi.org/10.1098/rsta.1962.0012	journal	November 1962
Phonons and related crystal properties from density-functional perturbation theory Baroni, Stefano; de Gironcoli, Stefano; Dal Corso, Andrea Reviews of Modern Physics, Vol. 73, Issue 2 https://doi.org/10.1103/RevModPhys.73.515	journal	July 2001
Electron-phonon effects in copper. II. Electrical and thermal resistivities and Hall coefficient Beaulac, T. P.; Allen, P. B.; Pinski, F. J. Physical Review B, Vol. 26, Issue 4 https://doi.org/10.1103/PhysRevB.26.1549	journal	August 1982
BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures Deslippe, Jack; Samsonidze, Georgy; Strubbe, David A. Computer Physics Communications, Vol. 183, Issue 6 https://doi.org/10.1016/j.cpc.2011.12.006	journal	June 2012
Intrinsic electrical transport properties of monolayer silicene and MoS $_{2}$ from first principles Li, Xiaodong; Mullen, Jeffrey T.; Jin, Zhenghe Physical Review B, Vol. 87, Issue 11 https://doi.org/10.1103/PhysRevB.87.115418	journal	March 2013
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502 https://doi.org/10.1088/0953-8984/21/39/395502	journal	September 2009
wannier90: A tool for obtaining maximally-localised Wannier functions Mostofi, Arash A.; Yates, Jonathan R.; Lee, Young-Su Computer Physics Communications, Vol. 178, Issue 9 https://doi.org/10.1016/j.cpc.2007.11.016	journal	May 2008
On the Numerical Calculation of the Density of States and Related Properties Lehmann, G.; Taut, M. Physica Status Solidi (b), Vol. 54, Issue 2 https://doi.org/10.1002/pssb.2220540211	journal	December 1972
Quasiparticle Electronic Structure of Copper in the $GW$ Approximation Marini, Andrea; Onida, Giovanni; Del Sole, Rodolfo Physical Review Letters, Vol. 88, Issue 1 https://doi.org/10.1103/PhysRevLett.88.016403	journal	December 2001
EPW: A program for calculating the electron–phonon coupling using maximally localized Wannier functions Noffsinger, Jesse; Giustino, Feliciano; Malone, Brad D. Computer Physics Communications, Vol. 181, Issue 12, p. 2140-2148 https://doi.org/10.1016/j.cpc.2010.08.027	journal	December 2010
Ab Initio Study of Hot Carriers in the First Picosecond after Sunlight Absorption in Silicon Bernardi, Marco; Vigil-Fowler, Derek; Lischner, Johannes Physical Review Letters, Vol. 112, Issue 25 https://doi.org/10.1103/PhysRevLett.112.257402	journal	June 2014
Electronic-Structure Dependence of the Electron-Phonon Interaction in Ag Paggel, J. J.; Luh, D. -A.; Miller, T. Physical Review Letters, Vol. 92, Issue 18 https://doi.org/10.1103/PhysRevLett.92.186803	journal	May 2004
Maximally localized generalized Wannier functions for composite energy bands Marzari, Nicola; Vanderbilt, David Physical Review B, Vol. 56, Issue 20 https://doi.org/10.1103/PhysRevB.56.12847	journal	November 1997
Reflecting upon the losses in plasmonics and metamaterials Khurgin, Jacob B.; Boltasseva, Alexandra MRS Bulletin, Vol. 37, Issue 8 https://doi.org/10.1557/mrs.2012.173	journal	August 2012
Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies Hybertsen, Mark S.; Louie, Steven G. Physical Review B, Vol. 34, Issue 8, p. 5390-5413 https://doi.org/10.1103/PhysRevB.34.5390	journal	October 1986
Abnormal drop in electrical resistivity with impurity doping of single-crystal Ag Kim, Ji Young; Oh, Min-Wook; Lee, Seunghun Scientific Reports, Vol. 4, Issue 1 https://doi.org/10.1038/srep05450	journal	June 2014
Theory and computation of hot carriers generated by surface plasmon polaritons in noble metals Bernardi, Marco; Mustafa, Jamal; Neaton, Jeffrey B. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms8044	journal	June 2015
Spectral and Fermi surface properties from Wannier interpolation Yates, Jonathan R.; Wang, Xinjie; Vanderbilt, David Physical Review B, Vol. 75, Issue 19 https://doi.org/10.1103/PhysRevB.75.195121	journal	May 2007
Extensions of the tetrahedron method for evaluating spectral properties of solids MacDonald, A. H.; Vosko, S. H.; Coleridge, P. T. Journal of Physics C: Solid State Physics, Vol. 12, Issue 15 https://doi.org/10.1088/0022-3719/12/15/008	journal	August 1979
Linear-response calculations of electron-phonon interactions Savrasov, S. Y.; Savrasov, D. Y.; Andersen, O. K. Physical Review Letters, Vol. 72, Issue 3 https://doi.org/10.1103/PhysRevLett.72.372	journal	January 1994
Electrical transport limited by electron-phonon coupling from Boltzmann transport equation: An ab initio study of Si, Al, and ${MoS}_{2}$ Li, Wu Physical Review B, Vol. 92, Issue 7 https://doi.org/10.1103/PhysRevB.92.075405	journal	August 2015
Copper Better than Silver: Electrical Resistivity of the Grain-Free Single-Crystal Copper Wire Cho, Yong Chan; Lee, Seunghun; Ajmal, Muhammad Crystal Growth & Design, Vol. 10, Issue 6 https://doi.org/10.1021/cg1003808	journal	June 2010
BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis Pizzi, Giovanni; Volja, Dmitri; Kozinsky, Boris Computer Physics Communications, Vol. 185, Issue 1 https://doi.org/10.1016/j.cpc.2013.09.015	journal	January 2014
BoltzTraP. A code for calculating band-structure dependent quantities Madsen, Georg K. H.; Singh, David J. Computer Physics Communications, Vol. 175, Issue 1 https://doi.org/10.1016/j.cpc.2006.03.007	journal	July 2006
Self-interaction correction to density-functional approximations for many-electron systems Perdew, J. P.; Zunger, Alex Physical Review B, Vol. 23, Issue 10, p. 5048-5079 https://doi.org/10.1103/PhysRevB.23.5048	journal	May 1981
High-temperature thermoelectric performance of heavily doped PbSe Parker, David; Singh, David J. Physical Review B, Vol. 82, Issue 3, Article No. 035204 https://doi.org/10.1103/PhysRevB.82.035204	journal	July 2010
Electron-phonon interaction using Wannier functions Giustino, Feliciano; Cohen, Marvin L.; Louie, Steven G. Physical Review B, Vol. 76, Issue 16 https://doi.org/10.1103/PhysRevB.76.165108	journal	October 2007
Electronic energy level alignment at metal-molecule interfaces with a $G W$ approach Tamblyn, Isaac; Darancet, Pierre; Quek, Su Ying Physical Review B, Vol. 84, Issue 20 https://doi.org/10.1103/PhysRevB.84.201402	journal	November 2011
Two-plasmon quantum interference Fakonas, James S.; Lee, Hyunseok; Kelaita, Yousif A. Nature Photonics, Vol. 8, Issue 4 https://doi.org/10.1038/nphoton.2014.40	journal	March 2014
Improved tetrahedron method for Brillouin-zone integrations Blöchl, Peter E.; Jepsen, O.; Andersen, O. K. Physical Review B, Vol. 49, Issue 23 https://doi.org/10.1103/PhysRevB.49.16223	journal	June 1994
Optical Constants of the Noble Metals Johnson, P. B.; Christy, R. W. Physical Review B, Vol. 6, Issue 12, p. 4370-4379 https://doi.org/10.1103/PhysRevB.6.4370	journal	December 1972
Ab initio study of hot electrons in GaAs Bernardi, Marco; Vigil-Fowler, Derek; Ong, Chin Shen Proceedings of the National Academy of Sciences, Vol. 112, Issue 17 https://doi.org/10.1073/pnas.1419446112	journal	April 2015
Maximally localized Wannier functions for entangled energy bands Souza, Ivo; Marzari, Nicola; Vanderbilt, David Physical Review B, Vol. 65, Issue 3 https://doi.org/10.1103/PhysRevB.65.035109	journal	December 2001
Efficient pseudopotentials for plane-wave calculations Troullier, N.; Martins, José Luriaas Physical Review B, Vol. 43, Issue 3 https://doi.org/10.1103/PhysRevB.43.1993	journal	January 1991

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