Lattice dynamics of BaFe2X3(X=S,Se) compounds

Popović, Z. V.; Šćepanović, M.; Lazarević, N.; Opačić, M.; Radonjić, M. M.; Tanasković, D.; Lei, Hechang; Petrovic, C.

doi:10.1103/PhysRevB.91.064303

Title: Lattice dynamics of ${BaFe}_{2} X_{3} (X = S, Se)$ compounds

Journal Article · Fri Feb 27 00:00:00 EST 2015 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.91.064303· OSTI ID:1193207

Popović, Z. V. ^[1]; Šćepanović, M. ^[1]; Lazarević, N. ^[1]; Opačić, M. ^[1]; Radonjić, M. M. ^[1]; Tanasković, D. ^[1]; Lei, Hechang ^[2]; Petrovic, C. ^[2]

Univ. of Belgrade, Belgrade (Serbia)
Brookhaven National Lab. (BNL), Upton, NY (United States)

We present the Raman scattering spectra of the S=2 spin ladder compounds BaFe₂X₃ (X=S,Se) in a temperature range between 20 and 400 K. Although the crystal structures of these two compounds are both orthorhombic and very similar, they are not isostructural. The unit cell of BaFe₂S₃ (BaFe₂Se₃) is base-centered Cmcm (primitive Pnma), giving 18 (36) modes to be observed in the Raman scattering experiment. We have detected almost all Raman active modes, predicted by factor group analysis, which can be observed from the cleavage planes of these compounds. Assignment of the observed Raman modes of BaFe₂S(Se)₃ is supported by the lattice dynamics calculations. The antiferromagnetic long-range spin ordering in BaFe₂Se₃ below T_N=255K leaves a fingerprint both in the A_1g and B_3g phonon mode linewidth and energy.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

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

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

Grant/Contract Number:: SC0012704

OSTI ID:: 1193207

Alternate ID(s):: OSTI ID: 1180751

Report Number(s):: BNL-107988-2015-JA; PRBMDO; R&D Project: PM016; KC0201050

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Vol. 91, Issue 6; ISSN 1098-0121

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 13 works

Citation information provided by
Web of Science

References (21)

Phonon and magnetic dimer excitations in Fe-based $S = 2$ spin-ladder compound BaFe $_{2}$ Se $_{2}$ O Popović, Z. V.; Šćepanović, M.; Lazarević, N. Physical Review B, Vol. 89, Issue 1 https://doi.org/10.1103/PhysRevB.89.014301	journal	January 2014
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
Structure and physical properties of the layered iron oxychalcogenide BaFe $_{2}$ Se $_{2}$ O Lei, Hechang; Ryu, Hyejin; Ivanovski, V. Physical Review B, Vol. 86, Issue 19 https://doi.org/10.1103/PhysRevB.86.195133	journal	November 2012
Anisotropy in BaFe $_{2}$ Se $_{3}$ single crystals with double chains of FeSe tetrahedra Lei, Hechang; Ryu, Hyejin; Frenkel, Anatoly I. Physical Review B, Vol. 84, Issue 21 https://doi.org/10.1103/PhysRevB.84.214511	journal	December 2011
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
Raman scattering from magnetic excitations in the spin-ladder compounds ${CaV}_{2} O_{5}$ and ${MgV}_{2} O_{5}$ Konstantinović, M. J.; Popović, Z. V.; Isobe, M. Physical Review B, Vol. 61, Issue 22 https://doi.org/10.1103/PhysRevB.61.15185	journal	June 2000
Spin glass and semiconducting behavior in one-dimensional BaFe $_{2 - δ}$ Se $_{3}$ ( $δ \approx 0.2)$ crystals Saparov, Bayrammurad; Calder, Stuart; Sipos, Balazs Physical Review B, Vol. 84, Issue 24 https://doi.org/10.1103/PhysRevB.84.245132	journal	December 2011
Common Crystalline and Magnetic Structure of Superconducting $A_{2} {Fe}_{4} {Se}_{5}$ ( $A = K, Rb, Cs, Tl$ ) Single Crystals Measured Using Neutron Diffraction Ye, F.; Chi, S.; Bao, Wei Physical Review Letters, Vol. 107, Issue 13 https://doi.org/10.1103/PhysRevLett.107.137003	journal	September 2011
Iron-Based Layered Superconductor La[O _1- _x F _x ]FeAs ( x = 0.05−0.12) with T _c = 26 K Kamihara, Yoichi; Watanabe, Takumi; Hirano, Masahiro Journal of the American Chemical Society, Vol. 130, Issue 11 https://doi.org/10.1021/ja800073m	journal	March 2008
Magnetic and Transport Properties of Ba ₆ Fe ₈ S ₁₅ and BaFe ₂ S ₃ : Magnetoresistance in a Spin-Glass-Like Fe(II) System Gönen, Z. Serpil; Fournier, Patrick; Smolyaninova, Vera Chemistry of Materials, Vol. 12, Issue 11 https://doi.org/10.1021/cm0000346	journal	November 2000
Phonon and magnon excitations in block-antiferromagnetic K $_{0.88}$ Fe $_{1.63}$ S $_{2}$ Lazarević, N.; Lei, Hechang; Petrovic, C. Physical Review B, Vol. 84, Issue 21 https://doi.org/10.1103/PhysRevB.84.214305	journal	December 2011
Raman study of the temperature and magnetic-field dependence of the electronic and lattice properties of MnSi Eiter, H. -M.; Jaschke, P.; Hackl, R. Physical Review B, Vol. 90, Issue 2 https://doi.org/10.1103/PhysRevB.90.024411	journal	July 2014
Block magnetism coupled with local distortion in the iron-based spin-ladder compound BaFe $_{2}$ Se $_{3}$ Nambu, Yusuke; Ohgushi, Kenya; Suzuki, Shunpei Physical Review B, Vol. 85, Issue 6 https://doi.org/10.1103/PhysRevB.85.064413	journal	February 2012
A Raman study of the temperature and magnetic field dependence of electronic and lattice properties in MnSi Eiter, H. -M.; Jaschke, P.; Hackl, R. arXiv https://doi.org/10.48550/arxiv.1401.2003	text	January 2014
Iron displacements and magnetoelastic coupling in the antiferromagnetic spin-ladder compound BaFe $_{2}$ Se $_{3}$ Caron, J. M.; Neilson, J. R.; Miller, D. C. Physical Review B, Vol. 84, Issue 18 https://doi.org/10.1103/PhysRevB.84.180409	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 Lazarević, N.; Abeykoon, M.; Stephens, P. W. Physical Review B, Vol. 86, Issue 5 https://doi.org/10.1103/PhysRevB.86.054503	journal	August 2012
The oxidation state of iron in some BaFeS phases: A Mössbauer and electrical resistivity investigation of Ba2FeS3, Ba7Fe6S14, Ba6Fe8S15, BaFe2S3, and Ba9Fe16S32 Reiff, W. M.; Grey, I. E.; Fan, A. Journal of Solid State Chemistry, Vol. 13, Issue 1-2 https://doi.org/10.1016/0022-4596(75)90078-X	journal	February 1975
Optical properties of the spin-ladder compound ${Sr}_{14} {Cu}_{24} O_{41}$ Popović, Z. V.; Konstantinović, M. J.; Ivanov, V. A. Physical Review B, Vol. 62, Issue 8 https://doi.org/10.1103/PhysRevB.62.4963	journal	August 2000
The crystal chemistry of phases in the BaFeS and Se systems Hong, H. Y.; Steinfink, H. Journal of Solid State Chemistry, Vol. 5, Issue 1 https://doi.org/10.1016/0022-4596(72)90015-1	journal	July 1972
Anomalous optical phonons in FeTe chalcogenides: Spin state, magnetic order, and lattice anharmonicity Gnezdilov, V.; Pashkevich, Yu.; Lemmens, P. Physical Review B, Vol. 83, Issue 24 https://doi.org/10.1103/PhysRevB.83.245127	journal	June 2011
Colloquium : The unexpected properties of alkali metal iron selenide superconductors Dagotto, Elbio Reviews of Modern Physics, Vol. 85, Issue 2 https://doi.org/10.1103/RevModPhys.85.849	journal	May 2013

Cited By (5)

Exploration of high-pressure structural transition and electronic properties of BaFe ₂ S ₃ Kong, Panlong; Wang, Jingjing; Jin, Yuanyuan Journal of Physics: Condensed Matter, Vol. 31, Issue 11 https://doi.org/10.1088/1361-648x/aaf8f8	journal	January 2019
Orbital order and fluctuations in the two-leg ladder materials ${BaFe}_{2} X_{3}$ ( $X = S$ and Se) and ${CsFe}_{2} {Se}_{3}$ Takubo, Kou; Yokoyama, Yuichi; Wadati, Hiroki Physical Review B, Vol. 96, Issue 11 https://doi.org/10.1103/physrevb.96.115157	journal	September 2017
Spin dynamics of the block orbital-selective Mott phase Herbrych, J.; Kaushal, N.; Nocera, A. Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-06181-6	journal	September 2018
Temperature-Dependent Raman Study of Nanostructured and Multifunctional Materials Šćepanović, Maja; Grujić-Brojčin, Mirjana; Lazarević, Nenad physica status solidi (a), Vol. 216, Issue 13 https://doi.org/10.1002/pssa.201800763	journal	March 2019
Gradual enhancement of stripe-type antiferromagnetism in the spin-ladder material ${BaFe}_{2} S_{3}$ under pressure Zheng, Liangliang; Frandsen, Benjamin A.; Wu, Changwei Physical Review B, Vol. 98, Issue 18 https://doi.org/10.1103/physrevb.98.180402	journal	November 2018

Similar Records

Interplay of lattice, electronic, and spin degrees of freedom in detwinned

{BaFe}_{2} {As}_{2}

: A Raman scattering study

Journal Article · Tue Aug 07 00:00:00 EDT 2018 · Physical Review. B · OSTI ID:1193207

Baum, A.; Li, Ying; Tomić, M.; +10 more

Phonon anomalies and magnetic excitations in

{BaFe}_{2} {Se}_{2} O

Journal Article · Mon Apr 22 00:00:00 EDT 2019 · Physical Review B · OSTI ID:1193207

Jin, Feng; Lazarević, Nenad; Liu, Changle; +8 more

{Sr}_{2} {Ir}_{1 - x} {Rh}_{x} O_{4} (x < 0.5)

: An inhomogeneous

j_{eff} = \frac{1}{2}

Hubbard system

Journal Article · Sat Aug 15 00:00:00 EDT 2015 · Physical Review. B, Condensed Matter and Materials Physics · OSTI ID:1193207

Chikara, Shalinee; Haskel, Daniel; Sim, Jae -Hoon; +10 more

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY

Title: Lattice dynamics of BaFe 2 X 3 ( X = S , Se ) compounds

Citation Formats

References (21)

Cited By (5)

Similar Records

Related Subjects

Title: Lattice dynamics of ${BaFe}_{2} X_{3} (X = S, Se)$ compounds