Coherent band excitations in CePd 3 : A comparison of neutron scattering and ab initio theory

Goremychkin, Eugene A.; Park, Hyowon; Osborn, Raymond; Rosenkranz, Stephan; Castellan, John-Paul; Fanelli, Victor R.; Christianson, Andrew D.; Stone, Matthew B.; Bauer, Eric D.; McClellan, Kenneth J.; Byler, Darrin D.; Lawrence, Jon M.

doi:10.1126/science.aan0593

Title: Coherent band excitations in CePd ₃ : A comparison of neutron scattering and ab initio theory

Authors:

;

; Christianson, Andrew D.;

;

Publication Date:: Thu Jan 11 00:00:00 EST 2018

Research Org.:: Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division

OSTI Identifier:: 1454664

Alternate Identifier(s):: OSTI ID: 1438105; OSTI ID: 1470898

Report Number(s):: LA-UR-17-22113
Journal ID: ISSN 0036-8075; /sci/359/6372/186.atom

Grant/Contract Number:: AC02-06CH11357; AC05-00OR22725; AC52-06NA25396

Resource Type:: Published Article

Journal Name:: Science

Additional Journal Information:: Journal Name: Science Journal Volume: 359 Journal Issue: 6372; Journal ID: ISSN 0036-8075

Publisher:: American Association for the Advancement of Science (AAAS)

Country of Publication:: United States

Language:: English

Subject:: Material Science; 73 NUCLEAR PHYSICS AND RADIATION PHYSICS; 36 MATERIALS SCIENCE; 46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY

Citation Formats


                    Goremychkin, Eugene A., Park, Hyowon, Osborn, Raymond, Rosenkranz, Stephan, Castellan, John-Paul, Fanelli, Victor R., Christianson, Andrew D., Stone, Matthew B., Bauer, Eric D., McClellan, Kenneth J., Byler, Darrin D., and Lawrence, Jon M. Coherent band excitations in CePd 3 : A comparison of neutron scattering and ab initio theory.  United States: N. p., 2018. 
Web.  doi:10.1126/science.aan0593.

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                    Goremychkin, Eugene A., Park, Hyowon, Osborn, Raymond, Rosenkranz, Stephan, Castellan, John-Paul, Fanelli, Victor R., Christianson, Andrew D., Stone, Matthew B., Bauer, Eric D., McClellan, Kenneth J., Byler, Darrin D., & Lawrence, Jon M. Coherent band excitations in CePd 3 : A comparison of neutron scattering and ab initio theory.  United States.  https://doi.org/10.1126/science.aan0593

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                    Goremychkin, Eugene A., Park, Hyowon, Osborn, Raymond, Rosenkranz, Stephan, Castellan, John-Paul, Fanelli, Victor R., Christianson, Andrew D., Stone, Matthew B., Bauer, Eric D., McClellan, Kenneth J., Byler, Darrin D., and Lawrence, Jon M. Thu .  
"Coherent band excitations in CePd 3 : A comparison of neutron scattering and ab initio theory".  United States.  https://doi.org/10.1126/science.aan0593.

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@article{osti_1454664,

  title        = {Coherent band excitations in CePd 3 : A comparison of neutron scattering and ab initio theory},

  author       = {Goremychkin, Eugene A. and Park, Hyowon and Osborn, Raymond and Rosenkranz, Stephan and Castellan, John-Paul and Fanelli, Victor R. and Christianson, Andrew D. and Stone, Matthew B. and Bauer, Eric D. and McClellan, Kenneth J. and Byler, Darrin D. and Lawrence, Jon M.},

  abstractNote = {},

  doi          = {10.1126/science.aan0593},

  journal      = {Science},

  number       = 6372,

  volume       = 359,

  place        = {United States},

  year         = {Thu Jan 11 00:00:00 EST 2018},

  month        = {Thu Jan 11 00:00:00 EST 2018}

}

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Figure 1: Electronic spectral function of CePd₃ calculated using DFT+DMFT. (A) At 100 K, the calculations show the presence of well-defined quasiparticle bands that cross the Fermi energy producing small electron pockets close to the center of the Brillouin zone (Γ) and the (more »

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Works referenced in this record:

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Works referencing / citing this record:

Spin Waves in Detwinned ${BaFe}_{2} {As}_{2}$
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Lu, Xingye; Scherer, Daniel D.; Tam, David W.
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Title: Coherent band excitations in CePd 3 : A comparison of neutron scattering and ab initio theory

Citation Formats

Figures / Tables:

Q -dependence of the spin fluctuations in the intermediate valence compound CePd 3 journal, May 2014

Antiferromagnetic order and spin dynamics in iron-based superconductors journal, August 2015

Mantid—Data analysis and visualization package for neutron scattering and μ SR experiments journal, November 2014

Coherence Scale of the Kondo Lattice journal, July 2000

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Crossover from Coherent to Incoherent Electronic Excitations in the Normal State of B i 2 S r 2 C a C u 2 O 8 + δ journal, May 2003

Coherent Heavy Quasiparticles in a Ce Pt 5 Surface Alloy journal, May 2011

Magnetic Excitation Spectra in BaFe 2 As 2 : A Two-Particle Approach within a Combination of the Density Functional Theory and the Dynamical Mean-Field Theory Method journal, September 2011

Localized Excitation in the Hybridization Gap in YbAl 3 journal, March 2006

α - γ transition in cerium: Magnetic form factor and dynamic magnetic susceptibility in dynamical mean-field theory journal, March 2014

Absolute cross-section normalization of magnetic neutron scattering data journal, August 2013

Finite-temperature behavior of the Anderson lattice journal, January 1988

Design and operation of the wide angular-range chopper spectrometer ARCS at the Spallation Neutron Source journal, January 2012

Electronic structure of cerium in Ce 1−x Y x Pd 3 and Ce 1−x M x Al 2 (M = Sc, Y) journal, March 1982

Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions journal, January 1996

Lattice dynamics of CePd 3 journal, October 1988

Electronic structure calculations with dynamical mean-field theory journal, August 2006

Mixed valent metals journal, July 2016

Two Energy Scales in Ce Pd 3 journal, June 1985

Calculation of neutron cross sections for interband transitions in semiconductors journal, October 1982

Two Energy Scales and Slow Crossover in YbAl 3 journal, March 2002

Possible Anisotropic s − f Hybridization in a Cubic Heavy-Fermion Compound: CeIn 1 Sn 2 journal, November 2008

How Bad Metals Turn Good: Spectroscopic Signatures of Resilient Quasiparticles journal, February 2013

Spin Waves and Electronic Interactions in La 2 CuO 4 journal, June 2001

Modeling the Localized-to-Itinerant Electronic Transition in the Heavy Fermion System CeIrIn5 journal, December 2007

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Title: Coherent band excitations in CePd ₃ : A comparison of neutron scattering and ab initio theory

Q -dependence of the spin fluctuations in the intermediate valence compound CePd ₃
journal, May 2014

Antiferromagnetic order and spin dynamics in iron-based superconductors
journal, August 2015

Mantid—Data analysis and visualization package for neutron scattering and $μ$ SR experiments
journal, November 2014

Coherence Scale of the Kondo Lattice
journal, July 2000

MERLIN, a new high count rate spectrometer at ISIS
journal, November 2006

Hubbard model in infinite dimensions: A quantum Monte Carlo study
journal, July 1992

Valence fluctuation phenomena
journal, January 1981

Quantum Monte Carlo impurity solver for cluster dynamical mean-field theory and electronic structure calculations with adjustable cluster base
journal, April 2007

Crossover from Coherent to Incoherent Electronic Excitations in the Normal State of ${B i}_{2} {S r}_{2} {C a C u}_{2} O_{8 + δ}$
journal, May 2003

Coherent Heavy Quasiparticles in a $Ce {Pt}_{5}$ Surface Alloy
journal, May 2011

Magnetic Excitation Spectra in ${BaFe}_{2} {As}_{2}$ : A Two-Particle Approach within a Combination of the Density Functional Theory and the Dynamical Mean-Field Theory Method
journal, September 2011

Localized Excitation in the Hybridization Gap in ${YbAl}_{3}$
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$α$ - $γ$ transition in cerium: Magnetic form factor and dynamic magnetic susceptibility in dynamical mean-field theory
journal, March 2014

Absolute cross-section normalization of magnetic neutron scattering data
journal, August 2013

Finite-temperature behavior of the Anderson lattice
journal, January 1988

Design and operation of the wide angular-range chopper spectrometer ARCS at the Spallation Neutron Source
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Electronic structure of cerium in Ce _1−x Y _x Pd ₃ and Ce _1−x M _x Al ₂ (M = Sc, Y)
journal, March 1982

Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions
journal, January 1996

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journal, October 1988

Electronic structure calculations with dynamical mean-field theory
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Two Energy Scales in Ce ${Pd}_{3}$
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How Bad Metals Turn Good: Spectroscopic Signatures of Resilient Quasiparticles
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Modeling the Localized-to-Itinerant Electronic Transition in the Heavy Fermion System CeIrIn5
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Horace : Software for the analysis of data from single crystal spectroscopy experiments at time-of-flight neutron instruments
journal, October 2016

Band Calculations for Ce Compounds with AuCu ₃ -type Crystal Structure on the basis of Dynamical Mean Field Theory: I. CePd ₃ and CeRh ₃
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Toward a predictive theory of correlated materials
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