Ordered vs. disordered perovskites; structural studies of Fe-doped SrIrO3 and SrRuO3

Qasim, Ilyas; Blanchard, Peter E. R.; Liu, Samuel; Tang, Chunguang; Kennedy, Brendan J.; Avdeev, Maxim; Kimpton, Justin A.

doi:10.1016/j.jssc.2013.08.016

Cited by 23 publications

(28 citation statements)

References 41 publications

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“…The crystal structure of this material is reported with either monoclinic or triclinic type by different groups. [17,18,19,20] An antiferromagnetic (AFM) type magnetic transition with T N ∼ 120 K has been reported in previous studies in this material. [17,18,19] In our recent investigation we, however, have shown that this material has two AFM transitions; one a weak transition around 120 K and another prominent transition around 45 K. [20] Similar two AFM transitions with different spin structures have earlier been shown in other 3d-5d based DP system Sr 2 FeOsO 6 .…”

Section: Introductionsupporting

confidence: 57%

Structural, magnetic and dielectric properties in 3$d$-5$d$ based Sr$_2$FeIrO$_6$ thin films

Kharkwal,

Patel,

Asokan

et al. 2020

Preprint

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The structural, magnetic and dielectric properties have been investigated in 3d-5d based double perovskite Sr 2 FeIrO 6 thin films deposited by pulse laser deposition technique. To understand the effect of strain, epitaxial films are grown with varying thickness as well as on different substrates i.e., SrTiO 3 (100) and LaAlO 3 (100). The films with highest thickness are found to be more relaxed. Atomic force microscope images indicate all films are of good quality where grain sizes increase with increase in film thickness. X-ray absorption spectroscopy measurements indicate a Ir 5+ charge state in present films while providing a detailed picture of hybridization between Fe/Ir-d and O-p orbitals. The bulk antiferromagnetic transition is retained in films though the transition temperature shifts to higher temperature. Both dielectric constant (ǫ r ) and loss (tan δ) show change around the magnetic ordering temperatures of bulk Sr 2 FeIrO 6 indicating a close relation between dielectric and magnetic behaviors. A Maxwell-Wagner type relaxation is found to follow over whole frequency range down to low temperature in present film. On changing the substrate i.e., LaAlO 3 (100), the ǫ r (T ) and (tan δ(T )) show almost similar behavior but ǫ r shows a higher value which is due to an increased strain coming from high mismatch of lattice parameters.

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Section: Introductionsupporting

confidence: 57%

Structural, magnetic and dielectric properties in 3$d$-5$d$ based Sr$_2$FeIrO$_6$ thin films

Kharkwal,

Patel,

Asokan

et al. 2020

Preprint

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“…The overall result is that the unit cell deforms and the structure is no longer cubic but of reduced symmetry, such as orthorhombic, rhombohedral, tetragonal, monoclinic, and triclinic phases, depending on the details of the [BO6] octahedral rotations and B-site distortions. This influences the electronic and optical properties of materials, behavior of photo-generated charge carriers, including excitation, transfer, and redox reactions, and plays an important role in their technological applications [6,17,[26][27][28][29][30]. It should be realised that the absorption transition of the [BO6] cluster corresponds to an electron transition from a bonding to a nonbonding molecular orbital, i.e.…”

Section: Octahedral Rotations Provoke Changes In the B-o And A-o Bondmentioning

confidence: 99%

Mechanism of photoluminescence in intrinsically disordered CaZrO3 crystals: First principles modeling of the excited electronic states

Oliveira

Gracia

Assis

et al. 2017

Journal of Alloys and Compounds

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CaZrO3 (CZO) powders were synthesized at different temperatures (400, 600, 800, and 1000 °C) and characterized by X-ray diffraction, Raman and ultraviolet-visible spectroscopic methods, along with photoluminescence (PL) emissions. First principle calculations based on the density functional theory (DFT), using a periodic cell models, provide a theoretical framework for understanding the PL spectra based on the localization and characterization of the ground and electronic excited states.Fundamental (singlet, s) and excited (singlet, s*, and triplet, t*) electronic states were localized and characterized using the ideal and distorted structures of CZO. Their corresponding geometries, electronic structures, and vibrational frequencies were obtained. A relationship between the different morphologies and structural behavior has also been established. Polarized structures were identified by the redistribution of the 4dz2, 4dyz, and 4dxy (Zr) orbitals at the conduction band and the 2pz (O) orbital in the valence band for s, s* and t*. Analysis of the vibrational eigenvector modes of these electronic states reveals a relationship between them via asymmetric bending and stretching modes that arise from Zr atom displacements due to polyhedral [ZrO6] distortion. Furthermore, the results provided an insight into the PL emissions of the as-synthesized CaZrO3 and led to the conclusion that the presence of electronically excited states is strongly related to the structural order-disorder effects (polyhedral distortion) at short range for both [ZrO6] and [CaO8] clusters.

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“…As shown in Figure , a cubic shows monotonic increase with x up to 0.3 and y up to 0.5. Note that a cubic for the Ru‐doped compounds deviates significantly upward from that for the Rh‐doped ones as y increases up to 0.5, where the slope of a cubic exhibits a sudden change . Since the ionic radius of Ru 4+ is almost the same as that of Rh 4+ , as confirmed by the similarity between SrRhO 3 and SrRuO 3 in the lattice constant, the discrepancy between the two doped systems may indicate that the valences of Rh and Ru differ from each other in the solid solutions.…”

Section: Figurementioning

confidence: 98%

“…The blue open circle and red open circles indicate the data for SrRhO 3 and SrFe 1− y Ru y O 3 (0.33≤ y ≤1) reported in Refs. and , respectively. SrRhO 3 and SrFe 1− y Ru y O 3 with y ≥0.5 have an orthorhombic unit cell of size

\sqrt{2} a \times \sqrt{2} a \times 2 a

, where a is the lattice constant of a simple cubic perovskite.…”

Section: Figurementioning

confidence: 99%

Contrasting Magnetic Behaviors in Rhodium‐ and Ruthenium‐Doped Cubic Perovskite SrFeO₃: Nearly Ferromagnetic Metal versus Spin‐Glass Insulator

et al. 2016

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The effects of Rh and Ru doping for SrFeO 3 , ah elimagnetic metal with ac ubic perovskites tructure,a re studied by magnetic and resistivity measurements.A lthough SrRhO 3 is aparamagnetic metal and SrRuO 3 is aferromagnetic one,t he Rh doping induces an early ferromagnetic metallic state,w hereas the Ru doping induces as pin-glass insulating state.M çssbauer measurements evidence am arked difference between SrFe 0.8 Rh 0.2 O 3 and SrFe 0.8 Ru 0.2 O 3 in the formal valences of Fe,w hicha re estimated to be 4 + and 3.75 + , respectively.T he contrasting magnetic behaviors of Rh-and Ru-doped SrFeO 3 are discussed in terms of the subtle balance between the double-exchange ferromagnetism and the superexchange antiferromagnetism.

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Ordered vs. disordered perovskites; structural studies of Fe-doped SrIrO3 and SrRuO3

Cited by 23 publications

References 41 publications

Structural, magnetic and dielectric properties in 3$d$-5$d$ based Sr$_2$FeIrO$_6$ thin films

Structural, magnetic and dielectric properties in 3$d$-5$d$ based Sr$_2$FeIrO$_6$ thin films

Mechanism of photoluminescence in intrinsically disordered CaZrO3 crystals: First principles modeling of the excited electronic states

Contrasting Magnetic Behaviors in Rhodium‐ and Ruthenium‐Doped Cubic Perovskite SrFeO₃: Nearly Ferromagnetic Metal versus Spin‐Glass Insulator

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Ordered vs. disordered perovskites; structural studies of Fe-doped SrIrO3 and SrRuO3

Cited by 23 publications

References 41 publications

Structural, magnetic and dielectric properties in 3$d$-5$d$ based Sr$_2$FeIrO$_6$ thin films

Structural, magnetic and dielectric properties in 3$d$-5$d$ based Sr$_2$FeIrO$_6$ thin films

Mechanism of photoluminescence in intrinsically disordered CaZrO3 crystals: First principles modeling of the excited electronic states

Contrasting Magnetic Behaviors in Rhodium‐ and Ruthenium‐Doped Cubic Perovskite SrFeO3: Nearly Ferromagnetic Metal versus Spin‐Glass Insulator

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Contrasting Magnetic Behaviors in Rhodium‐ and Ruthenium‐Doped Cubic Perovskite SrFeO₃: Nearly Ferromagnetic Metal versus Spin‐Glass Insulator