Long-range and local crystal structures of the Sr1-xCaxRuO3 perovskites

Nguyen, Loi T.; Abeykoon, Milinda; Tao, Jing; Lapidus, Saul; Cava, R. J.

doi:10.1103/PhysRevMaterials.4.034407

Title: Long-range and local crystal structures of the $S r_{1 - x} C a_{x} Ru O_{3}$ perovskites

Journal Article · Fri Mar 20 00:00:00 EDT 2020 · Physical Review Materials

DOI:https://doi.org/10.1103/PhysRevMaterials.4.034407· OSTI ID:1614698

Nguyen, Loi T. ^[1]; Abeykoon, Milinda ^[2]; Tao, Jing ^[3]; Lapidus, Saul ^[4]; Cava, R. J. ^[1]

Princeton Univ., NJ (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)
Brookhaven National Lab. (BNL), Upton, NY (United States)
Argonne National Lab. (ANL), Lemont, IL (United States). Advanced Photon Source (APS)

Here, the crystal structures of the Sr_1–xCa_x RuO₃ (0 ≤ x ≤ 1) perovskites are investigated using both long-range and local structural probes. High-resolution synchrotron powder x-ray-diffraction characterization at ambient temperature shows that the materials have orthorhombic long-range crystal structures to high precision, and we support previous work showing that Ca²⁺ substitution for Sr²⁺ primarily changes the tilting of rigid corner-sharing RuO₆ octahedra at their shared oxygen vertices. X-ray pair-distribution function analysis for SrRuO₃, CaRuO₃, and one intermediate composition show them to display monoclinic symmetry at the local level; when averaged over different domain orientations this yields orthorhombic symmetry in the long range, and no long-range or local phase transitions are observed between 80 and 300 K for materials with intermediate compositions. High-resolution transmission electron microscopy shows that the Sr/Ca distribution is random at the nanoscale. Lastly, we plot magnetic characteristics such as the ferromagnetic T_c, Curie-Weiss theta, effective moment, and ambient temperature susceptibility vs the octahedral tilt and unit-cell volume.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II); Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; Gordon and Betty Moore Foundation; USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division

Grant/Contract Number:: AC02-06CH11357; SC0012704; GBMF-4412

OSTI ID:: 1614698

Alternate ID(s):: OSTI ID: 1605630; OSTI ID: 1774244

Report Number(s):: BNL-213836-2020-JAAM; PRMHAR; TRN: US2106297

Journal Information:: Physical Review Materials, Vol. 4, Issue 3; ISSN 2475-9953

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 11 works

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Title: Long-range and local crystal structures of the S r 1 - x C a x Ru O 3 perovskites

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Title: Long-range and local crystal structures of the $S r_{1 - x} C a_{x} Ru O_{3}$ perovskites