Anomalous magneto-elastic and charge doping effects in thallium-doped BaFe2As2

Sefat, Athena S.; Li, Li; Cao, Huibo B.; McGuire, Michael A.; Sales, Brian; Custelcean, Radu; Parker, David S.

doi:10.1038/srep21660

Title: Anomalous magneto-elastic and charge doping effects in thallium-doped BaFe₂As₂

Journal Article · Fri Feb 12 00:00:00 EST 2016 · Scientific Reports

DOI:https://doi.org/10.1038/srep21660· OSTI ID:1259855

Sefat, Athena S. ^[1]; Li, Li ^[1]; Cao, Huibo B. ^[2]; McGuire, Michael A. ^[1]; Sales, Brian ^[1]; Custelcean, Radu ^[3]; Parker, David S. ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Quantum Condensed Matter Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division

Within the BaFe₂As₂ crystal lattice, we partially substitute thallium for barium and report the effects of interlayer coupling in Ba_1-xTl_xFe₂As₂ crystals. We demonstrate the unusual effects of magneto-elastic coupling and charge doping in this iron-arsenide material, whereby Néel temperature rises with small x, and then falls with additional x. Specifically, we find that Néel and structural transitions in BaFe₂As₂ (T_N = T_s = 133 K) increase for x = 0.05 (T_N = 138 K, T_s = 140 K) from magnetization, heat capacity, resistivity, and neutron diffraction measurements. Evidence from single crystal X-ray diffraction and first principles calculations attributes the stronger magnetism in x = 0.05 to magneto-elastic coupling related to the shorter intraplanar Fe-Fe bond distance. With further thallium substitution, the transition temperatures decrease for x = 0.09 (T_N = T_s = 131 K), and this is due to charge doping. Lastly, we illustrate that small changes related to 3d transition-metal state can have profound effects on magnetism.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). High Flux Isotope Reactor (HFIR)

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

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1259855

Alternate ID(s):: OSTI ID: 1267059

Journal Information:: Scientific Reports, Vol. 6; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 2 works

Citation information provided by
Web of Science

References (43)

Unity or diversity? Kivelson, Steven A.; Yao, Hong Nature Materials, Vol. 7, Issue 12 https://doi.org/10.1038/nmat2325	journal	December 2008
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Effect of doping and pressure on magnetism and lattice structure of iron-based superconductors Johannes, M. D.; Mazin, I. I.; Parker, D. S. Physical Review B, Vol. 82, Issue 2 https://doi.org/10.1103/PhysRevB.82.024527	journal	July 2010
Chemistry and electronic structure of iron-based superconductors Sefat, Athena S.; Singh, David J. MRS Bulletin, Vol. 36, Issue 8 https://doi.org/10.1557/mrs.2011.175	journal	August 2011
An overview on iron based superconductors Aswathy, P. M.; Anooja, J. B.; Sarun, P. M. Superconductor Science and Technology, Vol. 23, Issue 7 https://doi.org/10.1088/0953-2048/23/7/073001	journal	June 2010
Spin-density-wave anomaly at 140 K in the ternary iron arsenide ${BaFe}_{2} {As}_{2}$ Rotter, Marianne; Tegel, Marcus; Johrendt, Dirk Physical Review B, Vol. 78, Issue 2 https://doi.org/10.1103/PhysRevB.78.020503	journal	July 2008
Iron-based high transition temperature superconductors Chen, Xianhui; Dai, Pengcheng; Feng, Donglai National Science Review, Vol. 1, Issue 3 https://doi.org/10.1093/nsr/nwu007	journal	July 2014
Problems with reconciling density functional theory calculations with experiment in ferropnictides Mazin, I. I.; Johannes, M. D.; Boeri, L. Physical Review B, Vol. 78, Issue 8 https://doi.org/10.1103/PhysRevB.78.085104	journal	August 2008
Structural Origin of the Anomalous Temperature Dependence of the Local Magnetic Moments in the ${CaFe}_{2} {As}_{2}$ Family of Materials Ortenzi, L.; Gretarsson, H.; Kasahara, S. Physical Review Letters, Vol. 114, Issue 4 https://doi.org/10.1103/PhysRevLett.114.047001	journal	January 2015
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
Iron-based superconductors: Magnetism, superconductivity, and electronic structure (Review Article) Kordyuk, A. A. Low Temperature Physics, Vol. 38, Issue 9 https://doi.org/10.1063/1.4752092	journal	September 2012
Developments and Perspectives of Iron-based High-Temperature Superconductors Wen, Hai-Hu Advanced Materials, Vol. 20, Issue 19 https://doi.org/10.1002/adma.200801623	journal	October 2008
Bulk Synthesis of Iron-based Superconductors Sefat, Athena S. arXiv https://doi.org/10.48550/arxiv.1304.7708	text	January 2013
Four-circle single-crystal neutron diffractometer at the High Flux Isotope Reactor Chakoumakos, Bryan C.; Cao, Huibo; Ye, Feng Journal of Applied Crystallography, Vol. 44, Issue 3 https://doi.org/10.1107/S0021889811012301	journal	May 2011
Structural and magnetic phase diagram of CeFeAsO1-xFx and its relationship to high-temperature superconductivity Zhao, Jun; Huang, Q.; de la Cruz, Clarina arXiv https://doi.org/10.48550/arxiv.0806.2528	text	January 2008
Bulk synthesis of iron-based superconductors Sefat, Athena S. Current Opinion in Solid State and Materials Science, Vol. 17, Issue 2 https://doi.org/10.1016/j.cossms.2013.04.001	journal	April 2013
Interplay of magnetic and structural transitions in iron-based pnictide superconductors Cano, A.; Civelli, M.; Eremin, I. Physical Review B, Vol. 82, Issue 2 https://doi.org/10.1103/PhysRevB.82.020408	journal	July 2010
Iron Superconductivity Weathers Another Storm Mazin, Igor Physics, Vol. 4 https://doi.org/10.1103/Physics.4.26	journal	March 2011
High-temperature superconductivity in iron-based materials Paglione, Johnpierre; Greene, Richard L. Nature Physics, Vol. 6, Issue 9 https://doi.org/10.1038/nphys1759	journal	August 2010
Anisotropic itinerant magnetism and spin fluctuations in ${BaFe}_{2} {As}_{2}$ : A neutron scattering study Matan, K.; Morinaga, R.; Iida, K. Physical Review B, Vol. 79, Issue 5 https://doi.org/10.1103/PhysRevB.79.054526	journal	February 2009
Iron-based superconductors at high magnetic fields Gurevich, A. Reports on Progress in Physics, Vol. 74, Issue 12 https://doi.org/10.1088/0034-4885/74/12/124501	journal	September 2011
Enigmatic nematic Davis, J. C.; Hirschfeld, P. J. Nature Physics, Vol. 10, Issue 3 https://doi.org/10.1038/nphys2897	journal	February 2014
BaT2As2 single crystals (T=Fe, Co, Ni) and superconductivity upon Co-doping Sefat, Athena S.; Singh, David J.; Jin, Rongying Physica C: Superconductivity, Vol. 469, Issue 9-12 https://doi.org/10.1016/j.physc.2009.03.025	journal	May 2009
Superconductivity and Crystal Structures of (Ba _{1− x} K _x )Fe ₂ As ₂ ( x =0-1) Rotter, Marianne; Pangerl, Michael; Tegel, Marcus Angewandte Chemie International Edition, Vol. 47, Issue 41 https://doi.org/10.1002/anie.200803641	journal	September 2008
Electrical Characterization of Bilayer Graphene Formed by Hydrogen Intercalation of Monolayer Graphene on SiC(0001) Tanabe, Shinichi; Sekine, Yoshiaki; Kageshima, Hiroyuki Japanese Journal of Applied Physics, Vol. 51, Issue 2S https://doi.org/10.7567/JJAP.51.02BN02	journal	February 2012
Superconductivity gets an iron boost Mazin, Igor I. Nature, Vol. 464, Issue 7286 https://doi.org/10.1038/nature08914	journal	March 2010
Frustrated magnetic interactions, giant magneto–elastic coupling, and magnetic phonons in iron–pnictides Yildirim, Taner Physica C: Superconductivity, Vol. 469, Issue 9-12 https://doi.org/10.1016/j.physc.2009.03.038	journal	May 2009
Resistivity Anisotropy of $AE$Fe$_2$As$_2$ ($AE$ =Ca, Sr, Ba): direct versus Montgomery technique measurements Tanatar, M. A.; Ni, N.; Samolyuk, G. D. arXiv https://doi.org/10.48550/arxiv.0903.0820	text	January 2009
Structural origin of the anomalous temperature dependence of the local magnetic moments in the CaFe$_{2}$As$_{2}$ family of materials Ortenzi, L.; Gretarsson, H.; Kasahara, S. arXiv https://doi.org/10.48550/arxiv.1408.4058	text	January 2014
Effect of molybdenum $4 d$ hole substitution in BaFe $_{2}$ As $_{2}$ Sefat, Athena S.; Marty, Karol; Christianson, Andrew D. Physical Review B, Vol. 85, Issue 2 https://doi.org/10.1103/PhysRevB.85.024503	journal	January 2012
Materials Chemistry of BaFe ₂ As ₂ : A Model Platform for Unconventional Superconductivity ^† Mandrus, David; Sefat, Athena S.; McGuire, Michael A. Chemistry of Materials, Vol. 22, Issue 3 https://doi.org/10.1021/cm9027397	journal	February 2010
Superconductivity at 38 K in the Iron Arsenide $({Ba}_{1 - x} K_{x}) {Fe}_{2} {As}_{2}$ Rotter, Marianne; Tegel, Marcus; Johrendt, Dirk Physical Review Letters, Vol. 101, Issue 10 https://doi.org/10.1103/PhysRevLett.101.107006	journal	September 2008
Iron based superconductors: magnetism, superconductivity and electronic structure Kordyuk, A. A. arXiv https://doi.org/10.48550/arxiv.1209.0140	text	January 2012
Properties of binary transition-metal arsenides ( T As) Saparov, Bayrammurad; Mitchell, Jonathan E.; Sefat, Athena S. Superconductor Science and Technology, Vol. 25, Issue 8 https://doi.org/10.1088/0953-2048/25/8/084016	journal	July 2012
Electrical properties of low-dimensional chalcogenides TlCu2−X2 (X = Se, Te) and (Tl1−Ba )Cu2Se2 Ohtani, T.; Taniguchi, M.; Sasaki, S. Journal of Alloys and Compounds, Vol. 383, Issue 1-2 https://doi.org/10.1016/j.jallcom.2004.04.027	journal	November 2004
Superconductivity in Undoped Single Crystals of BaFe2As2: Field and Current Dependence Kim, J. S.; Blasius, T. D.; Kim, E. G. arXiv https://doi.org/10.48550/arxiv.0907.4429	text	January 2009
What drives nematic order in iron-based superconductors? Fernandes, R. M.; Chubukov, A. V.; Schmalian, J. Nature Physics, Vol. 10, Issue 2 https://doi.org/10.1038/nphys2877	journal	January 2014
Annealing effects on the properties of BFe ₂ As ₂ (B = Ca, Sr, Ba) superconducting parents Saparov, Bayrammurad; Sefat, Athena S. Dalton Trans., Vol. 43, Issue 40 https://doi.org/10.1039/c4dt01068j	journal	January 2014
Magnetism and its microscopic origin in iron-based high-temperature superconductors Dai, Pengcheng; Hu, Jiangping; Dagotto, Elbio Nature Physics, Vol. 8, Issue 10 https://doi.org/10.1038/nphys2438	journal	October 2012
Superconductivity at 22 K in Co-Doped ${BaFe}_{2} {As}_{2}$ Crystals Sefat, Athena S.; Jin, Rongying; McGuire, Michael A. Physical Review Letters, Vol. 101, Issue 11 https://doi.org/10.1103/PhysRevLett.101.117004	journal	September 2008
Neutron studies of the iron-based family of high TC magnetic superconductors Lynn, Jeffrey W.; Dai, Pengcheng Physica C: Superconductivity, Vol. 469, Issue 9-12 https://doi.org/10.1016/j.physc.2009.03.046	journal	May 2009
High-temperature superconductivity in iron-based materials Paglione, Johnpierre; Greene, Richard L. arXiv https://doi.org/10.48550/arxiv.1006.4618	text	January 2010
Magnetoelastic coupling in the phase diagram of Ba $_{1 - x}$ K $_{x}$ Fe $_{2}$ As $_{2}$ as seen via neutron diffraction Avci, S.; Chmaissem, O.; Goremychkin, E. A. Physical Review B, Vol. 83, Issue 17 https://doi.org/10.1103/PhysRevB.83.172503	journal	May 2011

Cited By (1)

Improving superconductivity in BaFe2As2-based crystals by cobalt clustering and electronic uniformity Li, L.; Zheng, Q.; Zou, Q. Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/s41598-017-00984-1	journal	April 2017

Similar Records

Superconductivity with T_c ≈ 7 K under pressure for Cu- and Au-doped BaFe₂As₂

Journal Article · Wed Apr 22 00:00:00 EDT 2020 · Journal of Physics. Condensed Matter · OSTI ID:1259855

Li, Li; Parker, David S.; Cao, Huibo B.; +2 more

Dielectric anomalies due to grain boundary conduction in chemically substituted BiFeO{sub 3}

Journal Article · Sat Mar 21 00:00:00 EDT 2015 · Journal of Applied Physics · OSTI ID:1259855

Kumari, Shalini; Ortega, N.; Pavunny, S. P.; +6 more

Structural, magnetic, and electronic evolution of the spin-ladder system BaFe₂S_3-xSe_x with isoelectronic substitution

Journal Article · Fri Jun 12 00:00:00 EDT 2020 · Physical Review B · OSTI ID:1259855

Yu, Jia; Wang, Meng; Frandsen, Benjamin A.; +11 more

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
36 MATERIALS SCIENCE
magnetic properties and materials
superconducting properties and materials

Title: Anomalous magneto-elastic and charge doping effects in thallium-doped BaFe2As2

Citation Formats

References (43)

Cited By (1)

Similar Records

Related Subjects

Title: Anomalous magneto-elastic and charge doping effects in thallium-doped BaFe₂As₂