Iridium valence variation and carrier sign tuning in (Ca,Ba)xLa2–xCuIrO6 double perovskites

Duell, B. A.; Li, Jun; Haskel, D.; Kim, Jungho; Park, H.; LaBarre, P. G.; Ramirez, A. P.; Subramanian, M. A.

doi:10.1103/physrevmaterials.5.054604

Title: Iridium valence variation and carrier sign tuning in ${(Ca, Ba)}_{x} {La}_{2 - x} {CuIrO}_{6}$ double perovskites

Journal Article · Mon May 10 00:00:00 EDT 2021 · Physical Review Materials

DOI:https://doi.org/10.1103/physrevmaterials.5.054604· OSTI ID:1798204

Duell, B. A. ^[1]; Li, Jun ^[1]; Haskel, D. ^[2]; Kim, Jungho ^[2]; Park, H. ^[3]; LaBarre, P. G. ^[4];

^[4];

^[1]

Oregon State Univ., Corvallis, OR (United States)
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Univ. of Illinois, Chicago, IL (United States); Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division
Univ. of California, Santa Cruz, CA (United States)

Here, we report the structure and properties of ${(Ca, Ba)}_{x} {La}_{2 - x} {CuIrO}_{6}$ . The rock-salt double perovskite structure goes through a $P \bar{1}$ to $P 2_{1} / n$ phase transition with increasing Ba content but not with Ca content. In both cases, the Ir ion is oxidized from $4 +$ to $5 +$ with increasing substitution. Transport and magnetic properties measurements reveal that all compositions are insulating with hysteretic spin-freezing magnetic behavior. Seebeck coefficient measurements reveal a large thermopower change from $+ 176 μ V$ /K in ${La}_{2} {CuIrO}_{6}$ to $- 223 μ V$ /K with increasing Ba content in ${Ba}_{x} {La}_{2 - x} {CuIrO}_{6}$ . This behavior is modeled well by the Heikes formula for correlated hopping conduction. ${(Ca, Ba)}_{x} {La}_{2 - x} {CuIrO}_{6}$ provides a model system for investigations of other systems with similar carrier sign tuning, with applications toward semiconductors and thermoelectric materials.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; National Science Foundation (NSF)

Grant/Contract Number:: AC02-06CH11357; SC0017862; DMR-1508527

OSTI ID:: 1798204

Journal Information:: Physical Review Materials, Vol. 5, Issue 5; ISSN 2475-9953

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (42)

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
Physical properties of disordered double-perovskite Ca2−xLaxFeIrO6 Bufaiçal, L.; Mendonça Ferreira, L.; Lora-Serrano, R. Journal of Applied Physics, Vol. 103, Issue 7 https://doi.org/10.1063/1.2830719	journal	April 2008
Weak ferromagnetism in BaIrO3 Lindsay, R.; Strange, W.; Chamberland, B. L. Solid State Communications, Vol. 86, Issue 11 https://doi.org/10.1016/0038-1098(93)90186-Q	journal	June 1993
Structure and Properties of Ir-Containing Oxides with Large Spin–Orbit Coupling: Ba ₂ In _{2– x} Ir _x O _5+δ Flynn, Joshua; Li, Jun; Sleight, Arthur W. Inorganic Chemistry, Vol. 55, Issue 6 https://doi.org/10.1021/acs.inorgchem.5b02501	journal	March 2016
Observation of heavy spin-orbit excitons propagating in a nonmagnetic background: The case of ${(Ba, Sr)}_{2} {YIrO}_{6}$ Kusch, M.; Katukuri, V. M.; Bogdanov, N. A. Physical Review B, Vol. 97, Issue 6 https://doi.org/10.1103/PhysRevB.97.064421	journal	February 2018
The electronic properties of non-stoichiometric barium iridate, BaIrO3−δ Powell, Anthony V.; Battle, Peter D. Journal of Alloys and Compounds, Vol. 191, Issue 2 https://doi.org/10.1016/0925-8388(93)90085-2	journal	February 1993
The structure of β-tungsten hexachloride by powder neutron and X-ray diffraction Taylor, J. C.; Wilson, P. W. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 30, Issue 5 https://doi.org/10.1107/S0567740874004572	journal	May 1974
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides Shannon, R. D. Acta Crystallographica Section A, Vol. 32, Issue 5, p. 751-767 https://doi.org/10.1107/S0567739476001551	journal	September 1976
Formation, phase analysis and properties of iridium containing perovskite Haque, Md. Tahidul; Satoh, Hirohisa; Kamegashira, Naoki Materials Research Bulletin, Vol. 39, Issue 14-15 https://doi.org/10.1016/j.materresbull.2004.07.015	journal	December 2004
MERIX—Next generation medium energy resolution inelastic X-ray scattering instrument at the APS Shvyd’ko, Yu. V.; Hill, J. P.; Burns, C. A. Journal of Electron Spectroscopy and Related Phenomena, Vol. 188 https://doi.org/10.1016/j.elspec.2012.09.003	journal	June 2013
Crystal structures and magnetic properties of ordered perovskites A2R3+Ir5+O6 (A=Sr, Ba; R=Sc, Y, La, Lu) Wakeshima, Makoto; Harada, Daijitsu; Hinatsu, Yukio Journal of Alloys and Compounds, Vol. 287, Issue 1-2 https://doi.org/10.1016/S0925-8388(99)00057-2	journal	June 1999
Die Gesetze der Krystallochemie Goldschmidt, V. M. Die Naturwissenschaften, Vol. 14, Issue 21 https://doi.org/10.1007/BF01507527	journal	May 1926
Thermopower in the correlated hopping regime Chaikin, P. M.; Beni, G. Physical Review B, Vol. 13, Issue 2 https://doi.org/10.1103/PhysRevB.13.647	journal	January 1976
The magnetic properties of iridium in mixed-metal oxides Powell, A. V.; Gore, J. G.; Battle, P. D. Journal of Alloys and Compounds, Vol. 201, Issue 1-2 https://doi.org/10.1016/0925-8388(93)90864-J	journal	November 1993
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Local-density functional and on-site correlations: The electronic structure of ${La}_{2}$ ${CuO}_{4}$ and ${LaCuO}_{3}$ Czyżyk, M. T.; Sawatzky, G. A. Physical Review B, Vol. 49, Issue 20 https://doi.org/10.1103/PhysRevB.49.14211	journal	May 1994
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
The effect of iridium oxidation state on the electronic properties of perovskite-type solid solutions: Ba2–La InIrO6 and BaLaIn1–Ca IrO6 Flynn, Joshua; Li, Jun; Ramirez, Arthur P. Journal of Solid State Chemistry, Vol. 247 https://doi.org/10.1016/j.jssc.2016.12.017	journal	March 2017
Negative Thermoelectric Power Induced by Positive Carriers in CaMn _{3- x} Cu _x Mn ₄ O ₁₂ Kobayashi, Wataru; Terasaki, Ichiro; Mikami, Masashi Journal of the Physical Society of Japan, Vol. 73, Issue 3 https://doi.org/10.1143/JPSJ.73.523	journal	March 2004
Structural and Magnetic Properties of the Iridium Double Perovskites Ba _{2– x} Sr _x YIrO ₆ Ranjbar, Ben; Reynolds, Emily; Kayser, Paula Inorganic Chemistry, Vol. 54, Issue 21 https://doi.org/10.1021/acs.inorgchem.5b01905	journal	October 2015
Sr2RhO4 and Sr2IrO4: Structural and magnetic studies of 4d and 5d transition metal analogs of La2CuO4 Subramanian, M. A.; Crawford, M. K.; Harlow, R. L. Physica C: Superconductivity, Vol. 235-240 https://doi.org/10.1016/0921-4534(94)91596-2	journal	December 1994
The automatic searching for chemical bonds in inorganic crystal structures Altermatt, D.; Brown, I. D. Acta Crystallographica Section B Structural Science, Vol. 41, Issue 4 https://doi.org/10.1107/S0108768185002051	journal	August 1985
Systematics in the thermoelectric power of high- $T_{c}$ oxides Obertelli, S. D.; Cooper, J. R.; Tallon, J. L. Physical Review B, Vol. 46, Issue 22 https://doi.org/10.1103/PhysRevB.46.14928	journal	December 1992
Quadratic Elongation: A Quantitative Measure of Distortion in Coordination Polyhedra Robinson, K.; Gibbs, G. V.; Ribbe, P. H. Science, Vol. 172, Issue 3983 https://doi.org/10.1126/science.172.3983.567	journal	May 1971
Metal–Insulator Transitions in Pyrochlore Oxides Ln ₂ Ir ₂ O ₇ Matsuhira, Kazuyuki; Wakeshima, Makoto; Hinatsu, Yukio Journal of the Physical Society of Japan, Vol. 80, Issue 9 https://doi.org/10.1143/JPSJ.80.094701	journal	September 2011
Structural Chemistry and Electronic Properties of Sr2FeIrO6 Battle, P. D.; Blake, G. R.; Gibb, T. C. Journal of Solid State Chemistry, Vol. 145, Issue 2 https://doi.org/10.1006/jssc.1999.8201	journal	July 1999
Dynamically screened Coulomb interaction in the parent compounds of hole-doped cuprates: Trends and exceptions Nilsson, F.; Karlsson, K.; Aryasetiawan, F. Physical Review B, Vol. 99, Issue 7 https://doi.org/10.1103/PhysRevB.99.075135	journal	February 2019
Electronic Properties of Doped Semiconductors Shklovskii, Boris I.; Efros, Alex L. Springer Series in Solid-State Sciences https://doi.org/10.1007/978-3-662-02403-4	book	January 1984
Thermoelectric Materials, Phenomena, and Applications: A Bird's Eye View Tritt, Terry M.; Subramanian, M. A. MRS Bulletin, Vol. 31, Issue 3 https://doi.org/10.1557/mrs2006.44	journal	March 2006
Complex magnetic properties in the mixed $4 f - 5 d$ double perovskite iridates $X_{2} {ZnIrO}_{6} (X = Nd, Sm, Eu, Gd)$ Vogl, M.; Morrow, R.; Aczel, A. A. Physical Review Materials, Vol. 4, Issue 5 https://doi.org/10.1103/PhysRevMaterials.4.054413	journal	May 2020
Noncollinear antiferromagnetism of coupled spins and pseudospins in the double perovskite ${La}_{2} {CuIrO}_{6}$ Manna, Kaustuv; Sarkar, R.; Fuchs, S. Physical Review B, Vol. 94, Issue 14 https://doi.org/10.1103/PhysRevB.94.144437	journal	October 2016
Origin of magnetic moments and presence of spin-orbit singlets in ${Ba}_{2} {YIrO}_{6}$ Nag, Abhishek; Bhowal, Sayantika; Chakraborty, Atasi Physical Review B, Vol. 98, Issue 1 https://doi.org/10.1103/PhysRevB.98.014431	journal	July 2018
Spherical analyzers and monochromators for resonant inelastic hard X-ray scattering: a compilation of crystals and reflections Gog, Thomas; Casa, Diego M.; Said, Ayman H. Journal of Synchrotron Radiation, Vol. 20, Issue 1 https://doi.org/10.1107/S0909049512043154	journal	November 2012
A profile refinement method for nuclear and magnetic structures Rietveld, H. M. Journal of Applied Crystallography, Vol. 2, Issue 2, p. 65-71 https://doi.org/10.1107/S0021889869006558	journal	June 1969
Electronic structure and optical properties of Sr ₂ IrO ₄ under epitaxial strain Bhandari, Churna; Popović, Zoran S.; Satpathy, S. New Journal of Physics, Vol. 21, Issue 1 https://doi.org/10.1088/1367-2630/aaff1b	journal	January 2019
Sign change of the thermoelectric power in LaCoO$_\mathsf{3}$ Maignan, A.; Flahaut, D.; Hébert, S. The European Physical Journal B, Vol. 39, Issue 2 https://doi.org/10.1140/epjb/e2004-00179-8	journal	May 2004
Testing the Validity of the Strong Spin-Orbit-Coupling Limit for Octahedrally Coordinated Iridate Compounds in a Model System ${Sr}_{3} {CuIrO}_{6}$ Liu, X.; Katukuri, Vamshi M.; Hozoi, L. Physical Review Letters, Vol. 109, Issue 15 https://doi.org/10.1103/PhysRevLett.109.157401	journal	October 2012
A2B′B″O6 perovskites: A review Vasala, Sami; Karppinen, Maarit Progress in Solid State Chemistry, Vol. 43, Issue 1-2 https://doi.org/10.1016/j.progsolidstchem.2014.08.001	journal	May 2015
Paramagnetic phase in single-crystal ${LaMnO}_{3}$ Zhou, J. -S.; Goodenough, J. B. Physical Review B, Vol. 60, Issue 22 https://doi.org/10.1103/PhysRevB.60.R15002	journal	December 1999
Structure and magnetic properties of CaxLa2−xMnIrO6 solid solution Haque, Md. Tahidul; Satoh, Hirohisa; Kamegashira, Naoki Journal of Alloys and Compounds, Vol. 408-412 https://doi.org/10.1016/j.jallcom.2004.12.131	journal	February 2006
The new ordered double perovskite SrLaCuIrO6 Wolff, Klaus K.; Tjeng, Liu Hao; Jansen, Martin Solid State Communications, Vol. 289 https://doi.org/10.1016/j.ssc.2018.11.021	journal	February 2019
The magnetic properties of BaLaCoIrO6 and Ba3CoIrxRu2−xO9 Battle, P. D.; Gore, J. G.; Hollyman, R. C. Journal of Alloys and Compounds, Vol. 218, Issue 1 https://doi.org/10.1016/0925-8388(94)01368-3	journal	February 1995

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Title: Iridium valence variation and carrier sign tuning in ( Ca , Ba ) x La 2 – x CuIrO 6 double perovskites

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Title: Iridium valence variation and carrier sign tuning in ${(Ca, Ba)}_{x} {La}_{2 - x} {CuIrO}_{6}$ double perovskites