Microscopic Nature of Magnetic Ground State in CeAuSb2

Yumnam, George; Chen, Yiyao; Zhao, Yang; Thamizhavel, Arumugam; Dhar, Sudesh K.; Singh, Deepak K.

doi:10.1002/pssr.201900304

Title: Microscopic Nature of Magnetic Ground State in CeAuSb₂

Abstract

Here, the synergistic investigation of ground-state magnetic correlation in the single-crystal heavy fermion compound CeAuSb₂ using detailed neutron scattering measurements and density functional calculations is reported. Unlike the previous reports of single antiferromagnetic transition at T_N≈ 6 K, three successive transitions with distinct critical exponents atT_N = 5.3, 4.46, and 3.76 K, respectively, are detected in CeAuSb. The low-temperature ground-state magnetic correlation is described by the spin density wave order in the basal plane with propagation wave vector $τ$ = (0.135, 0.135, 0.5) rlu. The spin density wave order arises due to the nesting of hole pockets in the Fermi surface, with parallel surfaces being separated by the experimentally found propagation vector τ. The comprehensive investigation of magnetic ground-state properties is expected to provide new insights in understanding the emerging quantum magnetism in this system, including the debated quantum critical state and magnetic field-induced metamagnetic transitions at low temperature.

Authors:

Yumnam, George ^[1]; Chen, Yiyao ^[1]; Zhao, Yang ^[2]; Thamizhavel, Arumugam ^[3]; Dhar, Sudesh K. ^[3];

^[1]

Univ. of Missouri, Columbia, MO (United States)
National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States); Univ. of Maryland, College Park, MD (United States)
Tata Inst. of Fundamental Research, Bombay (India)

Publication Date:: 2019-07-26

Research Org.:: Univ. of Missouri, Columbia, MO (United States)

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

OSTI Identifier:: 1594094

Alternate Identifier(s):: OSTI ID: 1557011

Grant/Contract Number:: SC0014461

Resource Type:: Accepted Manuscript

Journal Name:: Physica Status Solidi rrl

Additional Journal Information:: Journal Volume: 13; Journal Issue: 10; Journal ID: ISSN 1862-6254

Publisher:: Wiley

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; density functional calculations; heavy electron compounds; magnetic order; magnetic phase transitions; quantum magnetic phenomena

Citation Formats


                    Yumnam, George, Chen, Yiyao, Zhao, Yang, Thamizhavel, Arumugam, Dhar, Sudesh K., and Singh, Deepak K. Microscopic Nature of Magnetic Ground State in CeAuSb2.  United States: N. p., 2019. 
Web.  doi:10.1002/pssr.201900304.

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                    Yumnam, George, Chen, Yiyao, Zhao, Yang, Thamizhavel, Arumugam, Dhar, Sudesh K., & Singh, Deepak K. Microscopic Nature of Magnetic Ground State in CeAuSb2.  United States.  https://doi.org/10.1002/pssr.201900304

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                    Yumnam, George, Chen, Yiyao, Zhao, Yang, Thamizhavel, Arumugam, Dhar, Sudesh K., and Singh, Deepak K. Fri .  
"Microscopic Nature of Magnetic Ground State in CeAuSb2".  United States.  https://doi.org/10.1002/pssr.201900304.  https://www.osti.gov/servlets/purl/1594094.

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@article{osti_1594094,

  title        = {Microscopic Nature of Magnetic Ground State in CeAuSb2},

  author       = {Yumnam, George and Chen, Yiyao and Zhao, Yang and Thamizhavel, Arumugam and Dhar, Sudesh K. and Singh, Deepak K.},

  abstractNote = {Here, the synergistic investigation of ground-state magnetic correlation in the single-crystal heavy fermion compound CeAuSb2 using detailed neutron scattering measurements and density functional calculations is reported. Unlike the previous reports of single antiferromagnetic transition at TN≈ 6 K, three successive transitions with distinct critical exponents atTN = 5.3, 4.46, and 3.76 K, respectively, are detected in CeAuSb. The low-temperature ground-state magnetic correlation is described by the spin density wave order in the basal plane with propagation wave vector $τ$ = (0.135, 0.135, 0.5) rlu. The spin density wave order arises due to the nesting of hole pockets in the Fermi surface, with parallel surfaces being separated by the experimentally found propagation vector τ. The comprehensive investigation of magnetic ground-state properties is expected to provide new insights in understanding the emerging quantum magnetism in this system, including the debated quantum critical state and magnetic field-induced metamagnetic transitions at low temperature.},

  doi          = {10.1002/pssr.201900304},

  journal      = {Physica Status Solidi rrl},

  number       = 10,

  volume       = 13,

  place        = {United States},

  year         = {2019},

  month        = {7}

}

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Figures / Tables:

FIG. 1: Crystal structure and density functional calculation of CeAuSb₂. (a) Crystal structure of CeAuSb₂. Ce ions form a zig-zag chain along the unit cell. (b-c) Density functional calculation of Fermi surface in CeAuSb₂. The hole-type fermi-surface for minority- (down) spin carriers are shown as viewed from a tilted- andmore »

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Title: Microscopic Nature of Magnetic Ground State in CeAuSb2

Abstract

Citation Formats

Figures / Tables:

Quantum critical phenomena journal, August 1976

Pressure effects on the heavy-fermion antiferromagnet CeAuSb 2 journal, May 2012

Generalized Gradient Approximation Made Simple journal, October 1996

Field-induced quantum fluctuations in the heavy fermion superconductor CeCu2Ge2 journal, October 2011

Multi- q Mesoscale Magnetism in CeAuSb 2 journal, February 2018

Quantum critical fluctuations in layered YFe 2 Al 10 journal, September 2014

Magnetic field-tuned quantum critical point in CeAuSb 2 journal, August 2005

Anomalous Properties around Magnetic Instability in Heavy Electron Systems journal, March 1995

Effect of uniaxial stress on the magnetic phases of CeAuSb 2 journal, July 2018

Special points for Brillouin-zone integrations journal, June 1976

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials journal, September 2009

Fermi-liquid instabilities at magnetic quantum phase transitions journal, August 2007

Multiple magnetic structures of correlated Ce ions in intermetallic CeAu 2 Ge 2 journal, August 2012

What lies beneath the dome? journal, March 2008

Locally critical quantum phase transitions in strongly correlated metals journal, October 2001

Quantum criticality journal, January 2005

Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators journal, August 1995

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation journal, September 1992

A new protocol for the determination of magnetic structures using simulated annealing and representational analysis (SARAh) journal, March 2000

Field-temperature phase diagram and entropy landscape of CeAuSb 2 journal, May 2016

Quantum criticality in heavy-fermion metals journal, March 2008

Pseudopotentials periodic table: From H to Pu journal, December 2014

Heavy Fermions and Quantum Phase Transitions journal, September 2010

Coupling of field-induced spin fluctuations and spin-density wave in intermetallic CeAg 2 Ge 2 journal, August 2011

Effect of a nonzero temperature on quantum critical points in itinerant fermion systems journal, September 1993

Magnetic Fluctuations at a Field-Induced Quantum Phase Transition journal, December 2007

Mixed-valence compounds journal, April 1976

Anisotropic electrical and magnetic properties of Ce T Sb 2 ( T = Cu , Au, and Ni) single crystals journal, August 2003

Advanced capabilities for materials modelling with Quantum ESPRESSO journal, October 2017

Quantum criticality journal, February 2011

Advanced capabilities for materials modelling with Quantum ESPRESSO text, January 2017

Quantum Criticality in Heavy Fermion Metals text, January 2007

Field-induced quantum fluctuations in the heavy fermion superconductor CeCu2Ge2 text, January 2012

Advanced capabilities for materials modelling with Quantum ESPRESSO text, January 2017

Locally critical quantum phase transitions in strongly correlated metals text, January 2000

Fermi-liquid instabilities at magnetic quantum phase transitions text, January 2006

Title: Microscopic Nature of Magnetic Ground State in CeAuSb₂

Quantum critical phenomena
journal, August 1976

Pressure effects on the heavy-fermion antiferromagnet CeAuSb $_{2}$
journal, May 2012

Generalized Gradient Approximation Made Simple
journal, October 1996

Field-induced quantum fluctuations in the heavy fermion superconductor CeCu2Ge2
journal, October 2011

Multi- $q$ Mesoscale Magnetism in ${CeAuSb}_{2}$
journal, February 2018

Quantum critical fluctuations in layered YFe ₂ Al ₁₀
journal, September 2014

Magnetic field-tuned quantum critical point in ${CeAuSb}_{2}$
journal, August 2005

Anomalous Properties around Magnetic Instability in Heavy Electron Systems
journal, March 1995

Effect of uniaxial stress on the magnetic phases of ${CeAuSb}_{2}$
journal, July 2018

Special points for Brillouin-zone integrations
journal, June 1976

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

Fermi-liquid instabilities at magnetic quantum phase transitions
journal, August 2007

Multiple magnetic structures of correlated Ce ions in intermetallic CeAu $_{2}$ Ge $_{2}$
journal, August 2012

What lies beneath the dome?
journal, March 2008

Locally critical quantum phase transitions in strongly correlated metals
journal, October 2001

Quantum criticality
journal, January 2005

Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
journal, August 1995

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
journal, September 1992

A new protocol for the determination of magnetic structures using simulated annealing and representational analysis (SARAh)
journal, March 2000

Field-temperature phase diagram and entropy landscape of ${CeAuSb}_{2}$
journal, May 2016

Quantum criticality in heavy-fermion metals
journal, March 2008

Pseudopotentials periodic table: From H to Pu
journal, December 2014

Heavy Fermions and Quantum Phase Transitions
journal, September 2010

Coupling of field-induced spin fluctuations and spin-density wave in intermetallic CeAg $_{2}$ Ge $_{2}$
journal, August 2011

Effect of a nonzero temperature on quantum critical points in itinerant fermion systems
journal, September 1993

Magnetic Fluctuations at a Field-Induced Quantum Phase Transition
journal, December 2007

Mixed-valence compounds
journal, April 1976

Anisotropic electrical and magnetic properties of $Ce T {Sb}_{2}$ $(T = Cu,$ Au, and Ni) single crystals
journal, August 2003

Advanced capabilities for materials modelling with Quantum ESPRESSO
journal, October 2017

Quantum criticality
journal, February 2011

Advanced capabilities for materials modelling with Quantum ESPRESSO
text, January 2017

Quantum Criticality in Heavy Fermion Metals
text, January 2007

Field-induced quantum fluctuations in the heavy fermion superconductor CeCu2Ge2
text, January 2012

Advanced capabilities for materials modelling with Quantum ESPRESSO
text, January 2017

Locally critical quantum phase transitions in strongly correlated metals
text, January 2000

Fermi-liquid instabilities at magnetic quantum phase transitions
text, January 2006