Raman spectroscopy of KxCo2-ySe2 single crystals near the ferromagnet-paramagnet transition

Opacic, M.; Lazarevic, N.; Radonjic, M. M.; Scepanovic, M.; Ryu, Hyejin; Wang, Aifeng; Tanaskovic, D.; Petrovic, C.; Popovic, Z. V.

doi:10.1088/0953-8984/28/48/485401

Title: Raman spectroscopy of KxCo2-ySe2 single crystals near the ferromagnet-paramagnet transition

Abstract

Polarized Raman scattering spectra of the K_xCo_2-ySe₂ (x = :::; y = :::) single crystals reveal the presence of two phonon modes, assigned as of the A1g and B1g symmetry. Absence of additional modes excludes the possibility of vacancy ordering, unlike in K_xCo_2-ySe₂ . The ferromagnetic (FM) phase transition at Tc 74 K leaves a clear fingerprint on the temperature dependence of the Raman mode energy and linewidth. For T > Tc the temperature dependence looks conventional, driven by the thermal expansion and anharmonicity. The Raman modes are rather broad due to the electron-phonon coupling increased by the disorder and spin fluctuation e ects. In the FM phase the phonon frequency of both modes increases, while an opposite trend is seen in their linewidth: the A1g mode narrows in the FM phase, whereas the B_1g mode broadens. We argue that the large asymmetry and anomalous frequency shift of the B_1g mode is due to the coupling of spin fluctuations and vibration. Our density functional theory (DFT) calculations for the phonon frequencies agree rather well with the Raman measurements, with some discrepancy being expected since the DFT calculations neglect the spin fluctuations.

Authors:

Opacic, M. ^[1]; Lazarevic, N. ^[1]; Radonjic, M. M. ^[2]; Scepanovic, M. ^[1]; Ryu, Hyejin ^[3]; Wang, Aifeng ^[4]; Tanaskovic, D. ^[1]; Petrovic, C. ^[3]; Popovic, Z. V. ^[1]

Univ. of Belgrade (Serbia)
Univ. of Augsburg (Germany); Univ. of Belgrade (Serbia)
Brookhaven National Lab. (BNL), Upton, NY (United States); Stony Brook Univ., NY (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States)

Publication Date:: Wed Oct 05 00:00:00 EDT 2016

Research Org.:: Brookhaven National Lab. (BNL), Upton, NY (United States); Energy Frontier Research Centers (EFRC) (United States). Center for Emergent Superconductivity (CES)

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

OSTI Identifier:: 1341609

Report Number(s):: BNL-113329-2016-JA
Journal ID: ISSN 0953-8984; R&D Project: PM016; KC0201050; TRN: US1701571

Grant/Contract Number:: SC0012704; AC02-98CH10886

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Physics. Condensed Matter

Additional Journal Information:: Journal Volume: 28; Journal Issue: 48; Journal ID: ISSN 0953-8984

Publisher:: IOP Publishing

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats


                    Opacic, M., Lazarevic, N., Radonjic, M. M., Scepanovic, M., Ryu, Hyejin, Wang, Aifeng, Tanaskovic, D., Petrovic, C., and Popovic, Z. V. Raman spectroscopy of KxCo2-ySe2 single crystals near the ferromagnet-paramagnet transition.  United States: N. p., 2016. 
Web.  doi:10.1088/0953-8984/28/48/485401.

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                    Opacic, M., Lazarevic, N., Radonjic, M. M., Scepanovic, M., Ryu, Hyejin, Wang, Aifeng, Tanaskovic, D., Petrovic, C., & Popovic, Z. V. Raman spectroscopy of KxCo2-ySe2 single crystals near the ferromagnet-paramagnet transition.  United States.  https://doi.org/10.1088/0953-8984/28/48/485401

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                    Opacic, M., Lazarevic, N., Radonjic, M. M., Scepanovic, M., Ryu, Hyejin, Wang, Aifeng, Tanaskovic, D., Petrovic, C., and Popovic, Z. V. Wed .  
"Raman spectroscopy of KxCo2-ySe2 single crystals near the ferromagnet-paramagnet transition".  United States.  https://doi.org/10.1088/0953-8984/28/48/485401.  https://www.osti.gov/servlets/purl/1341609.

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@article{osti_1341609,

  title        = {Raman spectroscopy of KxCo2-ySe2 single crystals near the ferromagnet-paramagnet transition},

  author       = {Opacic, M. and Lazarevic, N. and Radonjic, M. M. and Scepanovic, M. and Ryu, Hyejin and Wang, Aifeng and Tanaskovic, D. and Petrovic, C. and Popovic, Z. V.},

  abstractNote = {Polarized Raman scattering spectra of the KxCo2-ySe2 (x = :::; y = :::) single crystals reveal the presence of two phonon modes, assigned as of the A1g and B1g symmetry. Absence of additional modes excludes the possibility of vacancy ordering, unlike in KxCo2-ySe2 . The ferromagnetic (FM) phase transition at Tc 74 K leaves a clear fingerprint on the temperature dependence of the Raman mode energy and linewidth. For T > Tc the temperature dependence looks conventional, driven by the thermal expansion and anharmonicity. The Raman modes are rather broad due to the electron-phonon coupling increased by the disorder and spin fluctuation e ects. In the FM phase the phonon frequency of both modes increases, while an opposite trend is seen in their linewidth: the A1g mode narrows in the FM phase, whereas the B1g mode broadens. We argue that the large asymmetry and anomalous frequency shift of the B1g mode is due to the coupling of spin fluctuations and vibration. Our density functional theory (DFT) calculations for the phonon frequencies agree rather well with the Raman measurements, with some discrepancy being expected since the DFT calculations neglect the spin fluctuations.},

  doi          = {10.1088/0953-8984/28/48/485401},

  journal      = {Journal of Physics. Condensed Matter},

  number       = 48,

  volume       = 28,

  place        = {United States},

  year         = {Wed Oct 05 00:00:00 EDT 2016},

  month        = {Wed Oct 05 00:00:00 EDT 2016}

}

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https://doi.org/10.1088/0953-8984/28/48/485401

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FIG. 1: Unit cell of KCo₂Se₂ single crystal, together with the displacement patterns of the A_1gand B_1g Raman modes.

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Title: Raman spectroscopy of KxCo2-ySe2 single crystals near the ferromagnet-paramagnet transition

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Superconductivity in iron compounds journal, December 2011

Coexistence of superconductivity and antiferromagnetism in single crystals A 0.8 Fe 2−y Se 2 (A=K, Rb, Cs, Tl/K and Tl/Rb): Evidence from magnetization and resistivity journal, April 2011

Microscopic Coexistence of Superconductivity and Antiferromagnetism in Underdoped Ba ( Fe 1 − x Ru x ) 2 As 2 journal, November 2012

Colloquium : The unexpected properties of alkali metal iron selenide superconductors journal, May 2013

Nodeless superconducting gap in AxFe2Se2 (A=K,Cs) revealed by angle-resolved photoemission spectroscopy journal, February 2011

Phase separation and magnetic order in K-doped iron selenide superconductor journal, November 2011

Vacancy-induced nanoscale phase separation in K x Fe 2 − y Se 2 single crystals evidenced by Raman scattering and powder x-ray diffraction journal, August 2012

Influence of microstructure on superconductivity in KxFe2−ySe2 and evidence for a new parent phase K2Fe7Se8 journal, May 2013

The hybrid lattice of KxFe2−ySe2: where superconductivity and magnetism coexist journal, June 2013

Intrinsic high-temperature superconductivity in ternary iron selenides journal, November 2013

Lattice dynamics of KNi 2 Se 2 journal, April 2013

Sustained phase separation and spin glass in Co-doped K x Fe 2 − y Se 2 single crystals journal, November 2015

Insulating and metallic spin glass in Ni-doped K x Fe 2 − y Se 2 single crystals journal, May 2015

Magnetic properties in layered A Co 2 Se 2 ( A = K, Rb, Cs) with the ThCr 2 Si 2 -type structure journal, August 2013

Anomalous dependence of c -axis polarized Fe B 1 g phonon mode with Fe and Se concentrations in Fe 1 + y Te 1 − x Se x journal, February 2012

Raman study of the temperature and magnetic-field dependence of the electronic and lattice properties of MnSi journal, July 2014

Observation of a Raman-active phonon with Fano line shape in the quasi-one-dimensional superconductor K 2 Cr 3 As 3 journal, August 2015

Phonons and related crystal properties from density-functional perturbation theory journal, July 2001

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

Antiferromagnetic-to-ferromagnetic transition in metallic Tl1−xKxCo2Se2 (0 ⩽ x ⩽ 1.0) with ThCr2Si2-type structure journal, December 1989

Superconductivity in the iron selenide K x Fe 2 Se 2 ( 0 ≤ x ≤ 1.0 ) journal, November 2010

Phonon and magnon excitations in block-antiferromagnetic K 0.88 Fe 1.63 S 2 journal, December 2011

Effect of ferromagnetic ordering on phonons in KCo 2 Se 2 journal, September 2015

Evidence of superconductivity-induced phonon spectra renormalization in alkali-doped iron selenides journal, November 2015

Magnetic ordering effects in the Raman spectra of La 1 − x Mn 1 − x O 3 journal, November 1999

Raman study of stoichiometric and Zn-doped Fe 3 O 4 journal, February 2002

Temperature dependence of the first-order Raman scattering by phonons in Si, Ge, and α − S n : Anharmonic effects journal, February 1984

Theory of the anharmonic damping and shift of the Raman mode in silicon journal, October 1986

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

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

Lack of coupling between superconductivity and orthorhombic distortion in stoichiometric single-crystalline FeSe journal, May 2013

Evidence of electron-phonon and spin-phonon couplings at the Verwey transition in Fe 3 O 4 journal, July 2014

Raman spectroscopy of ordered double perovskite La 2 Co Mn O 6 thin films journal, March 2007

Spin-phonon coupling in orthorhombic R Mn O 3 ( R = Pr , Nd , Sm , Eu , Gd , Tb , Dy , Ho , Y ) : A Raman study journal, June 2006

Spin–phonon coupling in ordered double perovskites A2CoMnO6 (A=La, Pr, Nd) probed by micro-Raman spectroscopy journal, September 2014

Kinetic frustration and the nature of the magnetic and paramagnetic states in iron pnictides and iron chalcogenides journal, September 2011

Correlated Electronic Structure of LaO 1 − x F x FeAs journal, June 2008

Neutron Spectroscopy of Superconductors journal, October 1972

Electron-phonon effects on the Raman spectrum in Mg B 2 journal, April 2006

Electron-phonon coupling and phonon self-energy in MgB 2 : Interpretation of MgB 2 Raman spectra journal, February 2005

Electron-phonon interaction and Raman linewidth in superconducting fullerides journal, January 1998

Structural, electronic, magnetic and elastic properties of tetragonal layered diselenide KCo2Se2 from first principles calculations journal, January 2012

Raman study of the phonon anomaly in single-crystal Y Ba 2 Cu 3 O 7 − δ in the presence of a magnetic field journal, December 1988

Temperature dependence of the Raman spectrum of the high Tc superconductor YBa2Cu3O7 journal, September 1987

RAMAN MODES AND STRONG INTRAPLANAR OXYGEN-OXYGEN CHARGE FLUCTUATIONS IN YBa 2 Cu 3 O 7 journal, December 1989

Charge-transfer fluctuation, d -wave superconductivity, and the B 1 g Raman phonon in cuprates journal, January 1995

Electronic Raman scattering in a multiband model for cuprate superconductors journal, March 2007

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

Raman spectroscopy of Ca 3 Ru 2 O 7 : Phonon line assignment and electron scattering journal, June 2005

Evidence for electron-phonon interaction in Fe 1 − x M x Sb 2 ( M = Co and Cr; 0 ≤ x ≤ 0.5 ) single crystals journal, April 2010

Effect of cation-vacancy superstructure on the phonon dynamics in KNi 2 Se 2 journal, January 2020

Superconductivity in iron compounds
journal, December 2011

Coexistence of superconductivity and antiferromagnetism in single crystals A _0.8 Fe _2−y Se ₂ (A=K, Rb, Cs, Tl/K and Tl/Rb): Evidence from magnetization and resistivity
journal, April 2011

Microscopic Coexistence of Superconductivity and Antiferromagnetism in Underdoped $Ba ({Fe}_{1 - x} {Ru}_{x})_{2} {As}_{2}$
journal, November 2012

Colloquium : The unexpected properties of alkali metal iron selenide superconductors
journal, May 2013

Nodeless superconducting gap in AxFe2Se2 (A=K,Cs) revealed by angle-resolved photoemission spectroscopy
journal, February 2011

Phase separation and magnetic order in K-doped iron selenide superconductor
journal, November 2011

Vacancy-induced nanoscale phase separation in K $_{x}$ Fe $_{2 - y}$ Se $_{2}$ single crystals evidenced by Raman scattering and powder x-ray diffraction
journal, August 2012

Influence of microstructure on superconductivity in KxFe2−ySe2 and evidence for a new parent phase K2Fe7Se8
journal, May 2013

The hybrid lattice of KxFe2−ySe2: where superconductivity and magnetism coexist
journal, June 2013

Intrinsic high-temperature superconductivity in ternary iron selenides
journal, November 2013

Lattice dynamics of KNi $_{2}$ Se $_{2}$
journal, April 2013

Sustained phase separation and spin glass in Co-doped $K_{x} {Fe}_{2 - y} {Se}_{2}$ single crystals
journal, November 2015

Insulating and metallic spin glass in Ni-doped $K_{x} {Fe}_{2 - y} {Se}_{2}$ single crystals
journal, May 2015

Magnetic properties in layered $A$ Co $_{2}$ Se $_{2}$ ( $A$ $=$ K, Rb, Cs) with the ThCr $_{2}$ Si $_{2}$ -type structure
journal, August 2013

Anomalous dependence of $c$ -axis polarized Fe $B_{1 g}$ phonon mode with Fe and Se concentrations in Fe $_{1 + y}$ Te $_{1 - x}$ Se $_{x}$
journal, February 2012

Raman study of the temperature and magnetic-field dependence of the electronic and lattice properties of MnSi
journal, July 2014

Observation of a Raman-active phonon with Fano line shape in the quasi-one-dimensional superconductor $K_{2} {Cr}_{3} {As}_{3}$
journal, August 2015

Phonons and related crystal properties from density-functional perturbation theory
journal, July 2001

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

Antiferromagnetic-to-ferromagnetic transition in metallic Tl1−xKxCo2Se2 (0 ⩽ x ⩽ 1.0) with ThCr2Si2-type structure
journal, December 1989

Superconductivity in the iron selenide $K_{x} {Fe}_{2} {Se}_{2}$ $(0 \leq x \leq 1.0)$
journal, November 2010

Phonon and magnon excitations in block-antiferromagnetic K $_{0.88}$ Fe $_{1.63}$ S $_{2}$
journal, December 2011

Effect of ferromagnetic ordering on phonons in KCo ₂ Se ₂
journal, September 2015

Evidence of superconductivity-induced phonon spectra renormalization in alkali-doped iron selenides
journal, November 2015

Magnetic ordering effects in the Raman spectra of ${La}_{1 - x} {Mn}_{1 - x} O_{3}$
journal, November 1999

Raman study of stoichiometric and Zn-doped ${Fe}_{3} O_{4}$
journal, February 2002

Temperature dependence of the first-order Raman scattering by phonons in Si, Ge, and $α - S n$ : Anharmonic effects
journal, February 1984

Theory of the anharmonic damping and shift of the Raman mode in silicon
journal, October 1986

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

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

Lack of coupling between superconductivity and orthorhombic distortion in stoichiometric single-crystalline FeSe
journal, May 2013

Evidence of electron-phonon and spin-phonon couplings at the Verwey transition in ${Fe}_{3} O_{4}$
journal, July 2014

Raman spectroscopy of ordered double perovskite ${La}_{2} Co Mn O_{6}$ thin films
journal, March 2007

Spin-phonon coupling in orthorhombic $R Mn O_{3}$ $(R = \Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Y)$ : A Raman study
journal, June 2006

Spin–phonon coupling in ordered double perovskites A2CoMnO6 (A=La, Pr, Nd) probed by micro-Raman spectroscopy
journal, September 2014

Kinetic frustration and the nature of the magnetic and paramagnetic states in iron pnictides and iron chalcogenides
journal, September 2011

Correlated Electronic Structure of ${LaO}_{1 - x} F_{x} FeAs$
journal, June 2008

Neutron Spectroscopy of Superconductors
journal, October 1972

Electron-phonon effects on the Raman spectrum in $Mg B_{2}$
journal, April 2006

Electron-phonon coupling and phonon self-energy in ${MgB}_{2}$ : Interpretation of ${MgB}_{2}$ Raman spectra
journal, February 2005

Electron-phonon interaction and Raman linewidth in superconducting fullerides
journal, January 1998

Structural, electronic, magnetic and elastic properties of tetragonal layered diselenide KCo2Se2 from first principles calculations
journal, January 2012

Raman study of the phonon anomaly in single-crystal $Y {Ba}_{2} {Cu}_{3} O_{7 - δ}$ in the presence of a magnetic field
journal, December 1988

Temperature dependence of the Raman spectrum of the high Tc superconductor YBa2Cu3O7
journal, September 1987

RAMAN MODES AND STRONG INTRAPLANAR OXYGEN-OXYGEN CHARGE FLUCTUATIONS IN YBa ₂ Cu ₃ O ₇
journal, December 1989

Charge-transfer fluctuation, d -wave superconductivity, and the $B_{1 g}$ Raman phonon in cuprates
journal, January 1995

Electronic Raman scattering in a multiband model for cuprate superconductors
journal, March 2007

Coupling of the As $A_{1 g}$ phonon to magnetism in iron pnictides
journal, October 2013

Raman spectroscopy of ${Ca}_{3} {Ru}_{2} O_{7}$ : Phonon line assignment and electron scattering
journal, June 2005

Evidence for electron-phonon interaction in ${Fe}_{1 - x} M_{x} {Sb}_{2}$ ( $M = Co$ and Cr; $0 \leq x \leq 0.5$ ) single crystals
journal, April 2010

Effect of cation-vacancy superstructure on the phonon dynamics in ${KNi}_{2} {Se}_{2}$
journal, January 2020