2023
DOI: 10.1021/acs.inorgchem.3c00940
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A-Site Columnar-Ordered Perovskite CaZnV2O6 as a Pauli-Paramagnetic Metal

Abstract: In this study, we successfully synthesized a novel A-site columnar-ordered perovskite CaZnV 2 O 6 . This compound features a square-planar-coordinated Zn 2+ disorder, which is the same characteristic as the centrosymmetric paraelectric CaMnTi 2 O 6 . Unlike CaMnTi 2 O 6 , which shows a centrosymmetric paraelectric−noncentrosymmetric ferroelectric transition, CaZnV 2 O 6 retains Pauli-paramagnetic metallicity arising from itinerant V 4+ d 1 electrons and centrosymmetry down to 5 K. Based on analogous compounds,… Show more

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“…Therefore, we assumed the distribution of Cu 2+ and Zn 2+ based on their coordination preferences: Zn 2+ cations have a strong preference for tetrahedral sites (among tetrahedral and square-planar ones) while Cu 2+ cations have a strong preference for square-planar sites . We note that CaZnV 2 O 6 and CaCuFeReO 6 were recently prepared, where Zn 2+ and Cu 2+ cations are located in both square-planar (A′) and tetrahedral (A″) sites. However, these compounds were stabilized at much higher pressures of 12 and 15.5 GPa, respectively, and they were not stable at 6 GPa.…”
Section: Resultsmentioning
confidence: 99%
“…Therefore, we assumed the distribution of Cu 2+ and Zn 2+ based on their coordination preferences: Zn 2+ cations have a strong preference for tetrahedral sites (among tetrahedral and square-planar ones) while Cu 2+ cations have a strong preference for square-planar sites . We note that CaZnV 2 O 6 and CaCuFeReO 6 were recently prepared, where Zn 2+ and Cu 2+ cations are located in both square-planar (A′) and tetrahedral (A″) sites. However, these compounds were stabilized at much higher pressures of 12 and 15.5 GPa, respectively, and they were not stable at 6 GPa.…”
Section: Resultsmentioning
confidence: 99%