TY - JOUR
T1 - Long-range and local crystal structures of the S r1-x C axRu O3 perovskites
AU - Nguyen, Loi T.
AU - Abeykoon, Milinda
AU - Tao, Jing
AU - Lapidus, Saul
AU - Cava, R. J.
N1 - Funding Information:
This research was supported by the Gordon and Betty Moore Foundation, Grant No. GBMF-4412. The electron microscopy work was carried out at Brookhaven National Laboratory (BNL) and sponsored by the US Department of Energy (DOE) Basic Energy Sciences (BES), by the Materials Sciences and Engineering Division under Contract No. DE-SC0012704. This research used resources of the NSLSII, a US DOE Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under Contract No. DE-SC0012704. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the US DOE, Office of Science, Office of BES, under Contract No. DE-AC02-06CH11357. R.J.C. acknowledges inspiring discussions of this system with theorists Antoine Georges and Andrew Millis. The authors acknowledge Gihan Kwon for help with the PDF measurements and Daniel B. Straus for useful discussions of perovskite octahedral tilts.
Publisher Copyright:
© 2020 American Physical Society.
PY - 2020/3
Y1 - 2020/3
N2 - The crystal structures of the Sr1-xCaxRuO3(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. We plot magnetic characteristics such as the ferromagnetic Tc, Curie-Weiss theta, effective moment, and ambient temperature susceptibility vs the octahedral tilt and unit-cell volume.
AB - The crystal structures of the Sr1-xCaxRuO3(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. We plot magnetic characteristics such as the ferromagnetic Tc, Curie-Weiss theta, effective moment, and ambient temperature susceptibility vs the octahedral tilt and unit-cell volume.
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U2 - 10.1103/PhysRevMaterials.4.034407
DO - 10.1103/PhysRevMaterials.4.034407
M3 - Article
AN - SCOPUS:85083332731
SN - 2475-9953
VL - 4
JO - Physical Review Materials
JF - Physical Review Materials
IS - 3
M1 - 034407
ER -