Nonswitchable polarization and magnetoelectric coupling in the high-pressure synthesized doubly ordered perovskites 
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 and 
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De, Chandan; Sundaresan, A.

doi:10.1103/physrevb.97.214418

Cited by 28 publications

(33 citation statements)

References 38 publications

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“…This choice is driven by the fact that double perovskite systems mostlikely exhibit clear layered ordering as validated by experimental observations. [23,24] In addition, this specific cut-off energy difference also complies with previous DFT-based investigation [25] that reports formation of cation-ordered polar phases based on such criteria. The distribution of the compositional space as shown in Figure 2 represents a wide range of charge distributions of the cation sites.…”

Section: A Datasets and Descriptorssupporting

confidence: 87%

Insights into cation ordering of double perovskite oxides from machine learning and causal relations

Ghosh,

Palanichamy,

Trujillo

et al. 2022

Preprint

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This work investigates origins of cation ordering of double perovskites using first-principles theory computations combined with machine learning (ML). We have considered various possible oxidation states of A, A , B and B from the family of transition metal ions to construct datasets. A conventional framework employing traditional ML classification algorithm such as Random Forest (RF) combined with appropriate features including geometry-driven and key structural modes leads to highly accurate prediction (∼98%) of A-site cation ordering. This study evaluates accuracy of ML models by entailing analyses of decision paths, assignments of probabilistic confidence bound, and finally introducing a direct non-Gaussian acyclic structural equation model to investigate causality. A comparative study of utilization of first-principles driven features versus those computed with lower fidelity is added to further elucidate the role of structural modes for accurate prediction of cation ordering in double perovskites.

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Section: A Datasets and Descriptorssupporting

confidence: 87%

Insights into cation ordering of double perovskite oxides from machine learning and causal relations

Ghosh,

Palanichamy,

Trujillo

et al. 2022

Preprint

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“…These double double (or doubly ordered) perovskites usually combine layered and rock-salt motifs of A and B cations respectively. [10][11][12][13] A new double double perovskite (DDPv) type was recently reported to combine a columnar arrangement of A-site cations with the rock-salt order of B and B 0 cations for RMnMnSbO 6 (R = rare earth). 14,15 This structure crystallizes with the tetragonal P4 2 /n space group and has five independent cation sites according to the composition AA 0 0.5 A 00 0.5 BB 0 O 6 ; A (Wyckoff position 4e), A 0 (2a) and A 00 (2b) sites with ten-fold, tetrahedral and square planar coordinations, respectively, and octahedral sites for B (4c) and B 0 (4d) cations.…”

mentioning

confidence: 99%

Ferri- and ferro-magnetism in CaMnMReO₆ double double perovskites of late transition metals M = Co and Ni

et al. 2019

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“…This behavior is similar to that of other pyroelectric compounds, NaYMnWO 6 and NaHoCoWO 6 . 25 The magnetic structure of NaHoCoWO 6 and NaYCoWO 6 is collinear with a k-vector of ( 1 / 2 , 0, 1 / 2 ), and NaYMnWO 6 has a helical structure with a k-vector of (0, 0.427, 1 / 2 ). 29,44 These magnetic structures infer that the change in polarization in doubly ordered perovskites could be due to magnetoelastic coupling.…”

Section: Resultsmentioning

confidence: 98%

“…Recently, a nonswitchable polarization is observed below the magnetic ordering temperature (T N = 9 K for both Mn 2+ and Co 2+ ) of NaYMnWO 6 and NaHoCoWO 6 . 25 A similar family of compounds NaLnNiWO 6 (Ln = Y, Dy−Lu) showed switching of polarization below the magnetic ordering temperature of Ni 2+ ions (T N ∼ 20 to 23 K). The neutron diffraction studies of NaYNiWO 6 revealed a spin density wave structure just below T N and transforms to a collinear structure below 18 K. 26 On the other hand, the doubly ordered perovskites NaLnMnWO 6 (Ln = La, Nd, and Tb), NaLnFeWO 6 (Ln = La, Nd, Pr, and Sm), and NaLnNiWO 6 (Ln = La, Pr, Nd, and Sm−Tb) did not exhibit any change in polarization below magnetic ordering temperature.…”

Section: Introductionmentioning

confidence: 99%

Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO₆ (Ln = Er, Tm, Yb, and Lu)

Panda

Sundaresan

2021

J. Phys. Chem. C

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We report the multiferroic properties of doubly ordered perovskites NaLnCoWO 6 (Ln = Er, Tm, Yb, and Lu) and NaLuMnWO 6 synthesized under high-pressure (4.5 GPa) and high-temperature (1000 °C) conditions. Analysis of the powder Xray diffraction data reveals that these compounds crystallize in the polar monoclinic (P2 1 ) structure. These compounds are derived from the ABO 3 perovskite structure, where A-site cations (Na and Ln) exhibit layer ordering and B-site ions (M = Co or Mn and W) undergo commonly observed rock-salt ordering accompanied by a − a − c + octahedral tilting. All these materials, characterized by magnetic and dielectric measurements, reveal antiferromagnetic ordering (T N ∼ 6−8 K) accompanied by a dielectric anomaly. Furthermore, pyroelectrical current measurements show a nonswitchable polarization below T N for NaLnCoWO 6 (Ln = Er, Tm, and Yb) and NaLuMnWO 6 . In contrast, the polarization can be switched in NaLuCoWO 6 by changing the direction of the electric field (E) indicating the ferroelectric nature of this compound. The appearance of polarization below the magnetic ordering temperature (T N ) confirmed the magnetoelectric coupling of these compounds.

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Nonswitchable polarization and magnetoelectric coupling in the high-pressure synthesized doubly ordered perovskites NaYMnWO6 and NaHoCoWO6

Cited by 28 publications

References 38 publications

Insights into cation ordering of double perovskite oxides from machine learning and causal relations

Insights into cation ordering of double perovskite oxides from machine learning and causal relations

Ferri- and ferro-magnetism in CaMnMReO₆ double double perovskites of late transition metals M = Co and Ni

Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO₆ (Ln = Er, Tm, Yb, and Lu)

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Nonswitchable polarization and magnetoelectric coupling in the high-pressure synthesized doubly ordered perovskites NaYMnWO6 and NaHoCoWO6

Cited by 28 publications

References 38 publications

Insights into cation ordering of double perovskite oxides from machine learning and causal relations

Insights into cation ordering of double perovskite oxides from machine learning and causal relations

Ferri- and ferro-magnetism in CaMnMReO6 double double perovskites of late transition metals M = Co and Ni

Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)

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Ferri- and ferro-magnetism in CaMnMReO₆ double double perovskites of late transition metals M = Co and Ni

Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO₆ (Ln = Er, Tm, Yb, and Lu)