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Title: Interplay of lattice, electronic, and spin degrees of freedom in detwinned BaFe 2 As 2 : A Raman scattering study

Abstract

We report results of Raman scattering experiments on twin-free BaFe2 As2 with the main focus placed on understanding the influence of electronic and spin degrees of freedom on the lattice dynamics. In particular, we scrutinize the Eg modes and the As A1g mode. Each of the two Eg phonons in the tetragonal phase is observed to split into a B2g and a B3g mode upon entering the orthorhombic stripe-magnetic phase. The splitting amounts to approximately 10 cm-1 and less than 5 cm-1 for the low- and the high-energy Eg mode, respectively. The detailed study of the fully symmetric As mode using parallel incident and outgoing photon polarizations along either the antiferromagnetic or the ferromagnetic Fe-Fe direction reveals an anisotropic variation of the spectral weight with the energy of the exciting laser indicating a polarization-dependent resonance effect. Along with the experiments we present results from density functional theory calculations of the phonon eigenvectors, the dielectric function, and the Raman tensor elements. The comparison of theory and experiment indicates that (i) orbital-selective electronic correlations are crucial to understand the lattice dynamics and (ii) all phonon anomalies originate predominantly from the magnetic ordering and the corresponding reconstruction of the electronic bands at allmore » energies.« less

Authors:
 [1];  [2];  [2];  [3];  [1];  [1];  [1];  [1];  [4];  [5];  [2];  [6];  [7]
+ Show Author Affiliations
  1. Bavarian Academy of Sciences and Humanities, Garching (Germany). Walther Meissner Inst.; Technische Univ. Munchen, Garching (Germany). Fakultät fur Physik
  2. Goethe Univ., Frankfurt (Germany). Inst. für Theoretische Physik
  3. Univ. of Belgrade, Belgrade (Serbia). Center for Solid State Physics and New Materials, Inst. of Physics Belgrade
  4. SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES); Stanford Univ., CA (United States). Geballe Lab. for Advanced Materials & Dept. of Applied Physics; Univ. of Washington, Seattle, WA (United States). Dept. of Physics
  5. SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Institute for Materials and Energy Science (SIMES); Stanford Univ., CA (United States). Geballe Lab. for Advanced Materials & Dept. of Applied Physics
  6. Naval Research Lab. (NRL), Washington, DC (United States)
  7. Bavarian Academy of Sciences and Humanities, Garching (Germany). Walther Meissner Inst.
Publication Date:
Research Org.:
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1468723
Alternate Identifier(s):
OSTI ID: 1463206
Grant/Contract Number:  
SPP 1458; III45018; 56267076; 57142964; AC02-76SF00515
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review. B
Additional Journal Information:
Journal Volume: 98; 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

Baum, A., Li, Ying, Tomić, M., Lazarević, N., Jost, D., Löffler, F., Muschler, B., Böhm, T., Chu, J. -H., Fisher, I. R., Valentí, R., Mazin, I. I., and Hackl, R. Interplay of lattice, electronic, and spin degrees of freedom in detwinned BaFe2As2 : A Raman scattering study. United States: N. p., 2018. Web. doi:10.1103/physrevb.98.075113.
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Baum, A., Li, Ying, Tomić, M., Lazarević, N., Jost, D., Löffler, F., Muschler, B., Böhm, T., Chu, J. -H., Fisher, I. R., Valentí, R., Mazin, I. I., & Hackl, R. Interplay of lattice, electronic, and spin degrees of freedom in detwinned BaFe2As2 : A Raman scattering study. United States. https://doi.org/10.1103/physrevb.98.075113
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Baum, A., Li, Ying, Tomić, M., Lazarević, N., Jost, D., Löffler, F., Muschler, B., Böhm, T., Chu, J. -H., Fisher, I. R., Valentí, R., Mazin, I. I., and Hackl, R. Tue . "Interplay of lattice, electronic, and spin degrees of freedom in detwinned BaFe2As2 : A Raman scattering study". United States. https://doi.org/10.1103/physrevb.98.075113. https://www.osti.gov/servlets/purl/1468723.
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@article{osti_1468723,
title = {Interplay of lattice, electronic, and spin degrees of freedom in detwinned BaFe2As2 : A Raman scattering study},
author = {Baum, A. and Li, Ying and Tomić, M. and Lazarević, N. and Jost, D. and Löffler, F. and Muschler, B. and Böhm, T. and Chu, J. -H. and Fisher, I. R. and Valentí, R. and Mazin, I. I. and Hackl, R.},
abstractNote = {We report results of Raman scattering experiments on twin-free BaFe2 As2 with the main focus placed on understanding the influence of electronic and spin degrees of freedom on the lattice dynamics. In particular, we scrutinize the Eg modes and the As A1g mode. Each of the two Eg phonons in the tetragonal phase is observed to split into a B2g and a B3g mode upon entering the orthorhombic stripe-magnetic phase. The splitting amounts to approximately 10 cm-1 and less than 5 cm-1 for the low- and the high-energy Eg mode, respectively. The detailed study of the fully symmetric As mode using parallel incident and outgoing photon polarizations along either the antiferromagnetic or the ferromagnetic Fe-Fe direction reveals an anisotropic variation of the spectral weight with the energy of the exciting laser indicating a polarization-dependent resonance effect. Along with the experiments we present results from density functional theory calculations of the phonon eigenvectors, the dielectric function, and the Raman tensor elements. The comparison of theory and experiment indicates that (i) orbital-selective electronic correlations are crucial to understand the lattice dynamics and (ii) all phonon anomalies originate predominantly from the magnetic ordering and the corresponding reconstruction of the electronic bands at all energies.},
doi = {10.1103/physrevb.98.075113},
journal = {Physical Review. B},
number = 7,
volume = 98,
place = {United States},
year = {Tue Aug 07 00:00:00 EDT 2018},
month = {Tue Aug 07 00:00:00 EDT 2018}
}
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https://doi.org/10.1103/physrevb.98.075113
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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Symmetry-breaking orbital anisotropy observed for detwinned Ba(Fe1-xCox)2As2 above the spin density wave transition
journal, April 2011

  • Yi, M.; Lu, D.; Chu, J. -H.
  • Proceedings of the National Academy of Sciences, Vol. 108, Issue 17
  • DOI: 10.1073/pnas.1015572108

Chemistry and electronic structure of iron-based superconductors
journal, August 2011

Determination of the phase diagram of the electron-doped superconductor Ba ( Fe 1 − x Co x ) 2 As 2
journal, January 2009

Similarities between structural distortions under pressure and chemical doping in superconducting BaFe2As2
journal, May 2009

  • Kimber, Simon A. J.; Kreyssig, Andreas; Zhang, Yu-Zhong
  • Nature Materials, Vol. 8, Issue 6
  • DOI: 10.1038/nmat2443

Projector augmented-wave method
journal, December 1994

Anisotropic in-plane optical conductivity in detwinned Ba(Fe 1− x Co x ) 2 As 2
journal, February 2012

Raman scattering in YBa 2 Cu 3 O 7 : A comprehensive theoretical study in comparison with experiments
journal, January 2002

Problems with reconciling density functional theory calculations with experiment in ferropnictides
journal, August 2008

Interplay between lattice and spin states degree of freedom in the FeSe superconductor: Dynamic spin state instabilities
journal, April 2013

Critical quadrupole fluctuations and collective modes in iron pnictide superconductors
journal, February 2016

Effect of tensile stress on the in-plane resistivity anisotropy in BaFe 2 As 2
journal, April 2012

Electron interactions and charge ordering in CuO 2 compounds
journal, October 2010

  • Muschler, B.; Prestel, W.; Tassini, L.
  • The European Physical Journal Special Topics, Vol. 188, Issue 1
  • DOI: 10.1140/epjst/e2010-01302-4

Comparative study of the electronic and magnetic properties of BaFe 2 As 2 and BaMn 2 As 2 using the Gutzwiller approximation
journal, December 2011

Critical spin fluctuations and the origin of nematic order in Ba(Fe1−xCox)2As2
journal, January 2016

  • Kretzschmar, F.; Böhm, T.; Karahasanović, U.
  • Nature Physics, Vol. 12, Issue 6
  • DOI: 10.1038/nphys3634

Phonon anomalies in pure and underdoped R 1 − x K x Fe 2 As 2 ( R = Ba , Sr) investigated by Raman light scattering
journal, August 2009

Effects of uniaxial pressure and annealing on the resistivity of Ba(Fe1−Co )2As2
journal, May 2011

Nematicity, magnetism and superconductivity in FeSe
journal, December 2017

  • Böhmer, Anna E.; Kreisel, Andreas
  • Journal of Physics: Condensed Matter, Vol. 30, Issue 2
  • DOI: 10.1088/1361-648X/aa9caa

Nematic Crossover in BaFe 2 As 2 under Uniaxial Stress
journal, November 2015

Spin-Density-Wave Gap with Dirac Nodes and Two-Magnon Raman Scattering in BaFe 2 As 2
journal, February 2012

  • Sugai, Shunji; Mizuno, Yuki; Watanabe, Ryoutarou
  • Journal of the Physical Society of Japan, Vol. 81, Issue 2
  • DOI: 10.1143/JPSJ.81.024718

Impact of the spin-density-wave order on the superconducting gap of Ba ( Fe 1 − x Co x ) 2 As 2
journal, November 2010

Orbital-driven nematicity in FeSe
journal, November 2014

  • Baek, S-H.; Efremov, D. V.; Ok, J. M.
  • Nature Materials, Vol. 14, Issue 2
  • DOI: 10.1038/nmat4138

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Stress-induced nematicity in EuFe 2 As 2 studied by Raman spectroscopy
journal, July 2016

Linear optical properties of solids within the full-potential linearized augmented planewave method
journal, July 2006

Character of the structural and magnetic phase transitions in the parent and electron-doped BaFe 2 As 2 compounds
journal, April 2011

Doping dependence of the lattice dynamics in Ba ( Fe 1 − x Co x ) 2 As 2 studied by Raman spectroscopy
journal, September 2009

Unprecedented anisotropic metallic state in undoped iron arsenide BaFe2As2 revealed by optical spectroscopy
journal, July 2011

  • Nakajima, M.; Liang, T.; Ishida, S.
  • Proceedings of the National Academy of Sciences, Vol. 108, Issue 30
  • DOI: 10.1073/pnas.1100102108

First-Principles Determination of the Soft Mode in Cubic ZrO 2
journal, May 1997

Raman scattering study of spin-density-wave order and electron-phonon coupling in Ba(Fe 1 − x Co x ) 2 As 2
journal, September 2011

Coupling of the As A 1 g phonon to magnetism in iron pnictides
journal, October 2013

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Anisotropic charge dynamics in detwinned Ba(Fe 1-x Co x ) 2 As 2
journal, February 2011

Nematicity and quantum paramagnetism in FeSe
journal, September 2015

  • Wang, Fa; Kivelson, Steven A.; Lee, Dung-Hai
  • Nature Physics, Vol. 11, Issue 11
  • DOI: 10.1038/nphys3456

First principles phonon calculations in materials science
journal, November 2015

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Measurement of Anomalous Phonon Dispersion of CaFe 2 As 2 Single Crystals Using Inelastic Neutron Scattering
journal, May 2009

Charge nematicity and electronic Raman scattering in iron-based superconductors
journal, January 2016

LDA + DMFT study of the effects of correlation in LiFeAs
journal, March 2012

Superconductivity at 38 K in the Iron Arsenide ( Ba 1 − x K x ) Fe 2 As 2
journal, September 2008

Infrared phonon anomaly in BaFe 2 As 2
journal, November 2009

Role of the orbital degree of freedom in iron-based superconductors
journal, October 2017

Anomalous Raman scattering from phonons and electrons of superconducting
journal, April 2010

  • Kumar, Pradeep; Kumar, Anil; Saha, Surajit
  • Solid State Communications, Vol. 150, Issue 13-14
  • DOI: 10.1016/j.ssc.2010.01.033

Lattice and electronic anomalies of CaFe 2 As 2 studied by Raman spectroscopy
journal, December 2008

In-Plane Resistivity Anisotropy in an Underdoped Iron Arsenide Superconductor
journal, August 2010

First-principles calculations of the ferroelastic transition between rutile-type and CaCl 2 -type SiO 2 at high pressures
journal, October 2008

Classification of the electronic correlation strength in the iron pnictides: The case of the parent compound BaFe 2 As 2
journal, September 2009

Microscopic nature of correlations in multiorbital A Fe 2 As 2 ( A = K , Rb , Cs ) : Hund's coupling versus Coulomb repulsion
journal, November 2015

Anomalous optical phonons in FeTe chalcogenides: Spin state, magnetic order, and lattice anharmonicity
journal, June 2011

Measurements of the Anisotropic In-Plane Resistivity of Underdoped FeAs-Based Pnictide Superconductors
journal, August 2011

Linear optical properties of solids within the full-potential linearized augmented planewave method
journal, July 2006

The Role of Direct Presentation by Donor Dendritic Cells in Rejection of Minor Histocompatibility Antigen-Mismatched Skin and Hematopoietic Cell Grafts
journal, January 2011

Determination of the phase difference between the Raman tensor elements of the A 1 g -like phonons in SmBa 2 Cu 3 O 7 − δ
journal, January 1998

Chemistry and electronic structure of iron-based superconductors
journal, August 2011

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