Magnetic ground states in the three 
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Marjerrison, Casey; Thompson, Corey M.; Sharma, Arzoo; Hallas, Alannah; Wilson, M. N.; Munsie, Timothy; Flacau, Roxana; Wiebe, C. R.; Gaulin, B. D.; Luke, G. M.; Greedan, John E.

doi:10.1103/physrevb.94.134429

Cited by 41 publications

(35 citation statements)

References 23 publications

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“…In this work, we have utilized the similar size of d 10 Te 6+ and d 0 W 6+ cations. We can identify the additional d 10 /d 0 cation pairs of Zn 2+ /Mg 2+ , Cd 2+ /Ca 2+ , In 3+ /S c3+ and Sb 5+ /Nb 5+ based on ionic radii 22 and previous work by Marjerrison and coworkers 29 .…”

Section: Discussionmentioning

confidence: 86%

Spin-liquid-like state in a spin-1/2 square-lattice antiferromagnet perovskite induced by d10–d0 cation mixing

et al. 2018

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A quantum spin liquid state has long been predicted to arise in spin-1/2 Heisenberg square-lattice antiferromagnets at the boundary region between Néel (nearest-neighbor interaction dominates) and columnar (next-nearest-neighbor interaction dominates) antiferromagnetic order. However, there are no known compounds in this region. Here we use d10–d0 cation mixing to tune the magnetic interactions on the square lattice while simultaneously introducing disorder. We find spin-liquid-like behavior in the double perovskite Sr2Cu(Te0.5W0.5)O6, where the isostructural end phases Sr2CuTeO6 and Sr2CuWO6 are Néel and columnar type antiferromagnets, respectively. We show that magnetism in Sr2Cu(Te0.5W0.5)O6 is entirely dynamic down to 19 mK. Additionally, we observe at low temperatures for Sr2Cu(Te0.5W0.5)O6—similar to several spin liquid candidates—a plateau in muon spin relaxation rate and a strong T-linear dependence in specific heat. Our observations for Sr2Cu(Te0.5W0.5)O6 highlight the role of disorder in addition to magnetic frustration in spin liquid physics.

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Section: Discussionmentioning

confidence: 86%

Spin-liquid-like state in a spin-1/2 square-lattice antiferromagnet perovskite induced by d10–d0 cation mixing

et al. 2018

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“…The relevance of the spin-orbital-lattice entanglement is expected in other cubic d 1 [4,12,15] and d 2 double per- ovskites [55][56][57][58][59], and also in other types of cubic crystals such as 5d 1 Ta chlorides persisting cubic symmetry down to low temperature [60]. For the complete understanding of the unconventional magnetic phases of the family of cubic double perovskites containing heavy transition metal, concomitant treatment of the vibronic and magnetic interactions is found to be crucial.…”

Section: Discussionmentioning

confidence: 99%

Spin-orbital-lattice entangled states in cubic d1 double perovskites

2018

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Interplay of spin-orbit coupling and vibronic coupling on heavy d 1 site of cubic double perovskites is investigated by ab initio calculations. The stabilization energy of spin-orbital-lattice entangled states is found comparable to or larger than the exchange interactions, suggesting the presence of Jahn-Teller dynamics in the systems. In Ba2YMoO6, the pseudo Jahn-Teller coupling enhances the mixing of the ground and excited spin-orbit multiplet states, which results in strong temperature dependence of effective magnetic moments. The entanglement of the spin and lattice degrees of freedom induces a strong magneto-elastic response. This multiferroic effect is at the origin of the recently reported breaking of local point symmetry accompanying the development of magnetic ordering in Ba2NaOsO6. arXiv:1803.06945v3 [cond-mat.str-el]

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“…The optimized volume for all the three compounds has been made by fitting the total energy as a function of its cell volume using Birch-Murnaghan's equation of state [60]. Marjerrison et al [37] have recently reported all the three compounds in cubic B1-phase space group Fm-3 m (225). The Ba atoms are located at position 8c (0.25, 0.25, 0.25), Mg, Zn, Cd at 4b (0.5, 0.5, 0.5), Os at 4a (0, 0, 0) and O atoms are sited at24e (X, 0, 0) (X = 0.233, 0.238, 0.234) respectively for Mg, Zn, Cd.…”

Section: Structural Propertiesmentioning

confidence: 99%

“…The complete details of the respective experimental lattice parameters are given in Table 1. The Ba atoms are located at 8c (1/4, 1/4, 1/4) of the unit cell, X atoms are at position 4b (0.5, 0.5, 0.5), Os atoms are positioned at 41a (0, 0, 0) and O atoms at 24e (X, 0, 0) (X = 0.233, 0.238, 0.234) respectively for Mg, Zn, Cd [37]. Further double perovskites of the variant A 2 BB 0 O 6 like Ba 2 MgReO 6 ,Sr 2 MnTaO 6 ,Ba 2 InTaO 6 and many more have also been reported for electronic, magnetic, mechanical, optical, thermoelectric and thermodynamic investigations [38][39][40][41][42][43][44][45][46][47].…”

Section: Introductionmentioning

confidence: 99%

Osmium Containing Double Perovskite Ba₂XOsO₆ (X = Mg, Zn, Cd): Important Candidates for Half-Metallic Ferromagnetic and Spintronic Applications

Dar¹

2020

Perovskite Materials, Devices and Integration

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In this chapter, Osmium-based double perovskites Ba 2 XOsO 6 (X = Mg, Zn, Cd) have been investigated for their magnetic structure, electronic, elastic, mechanical and thermodynamic belongings. These materials have been recently reported experimentally for their magnetic structure. Here, we report the first successful ab initio calculations on the physical properties of these materials. The structural optimization for these Ba 2 XOsO 6 (X = Mg, Zn, Cd) double perovskite compounds has been finalized within density functional theory via full potential linearized augmented plane wave (FP-LAPW) method. The structural investigation exposes the ferromagnetic phase stability of these compounds. The spin-polarized electronic and magnetic properties were calculated within generalized gradient approximation (GGA), Hubbard approximation (GGA+U) and modified Becke-Johnson approximation (mBJ). The electronic profile establishes the half-metallic nature for all the three compounds. The total spin magnetic moment was found to be an integer value of 2 μ b. The elastic constants have been calculated and used to predict mechanical stuffs like Shear modulus (G), Poisson ratio (v) and anisotropic factor. The calculated B/G and Cauchy pressure (C 12-C 44) both characterize these materials as brittle. The thermodynamic parameters like heat capacity and Debye temperature have been predicted in the temperature range of 0-1000 K.

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Magnetic ground states in the three Os6+ (5d2) dou

Cited by 41 publications

References 23 publications

Spin-liquid-like state in a spin-1/2 square-lattice antiferromagnet perovskite induced by d10–d0 cation mixing

Spin-liquid-like state in a spin-1/2 square-lattice antiferromagnet perovskite induced by d10–d0 cation mixing

Spin-orbital-lattice entangled states in cubic d1 double perovskites

Osmium Containing Double Perovskite Ba₂XOsO₆ (X = Mg, Zn, Cd): Important Candidates for Half-Metallic Ferromagnetic and Spintronic Applications

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Magnetic ground states in the three Os6+ (5d2) dou

Cited by 41 publications

References 23 publications

Spin-liquid-like state in a spin-1/2 square-lattice antiferromagnet perovskite induced by d10–d0 cation mixing

Spin-liquid-like state in a spin-1/2 square-lattice antiferromagnet perovskite induced by d10–d0 cation mixing

Spin-orbital-lattice entangled states in cubic d1 double perovskites

Osmium Containing Double Perovskite Ba2XOsO6 (X = Mg, Zn, Cd): Important Candidates for Half-Metallic Ferromagnetic and Spintronic Applications

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Osmium Containing Double Perovskite Ba₂XOsO₆ (X = Mg, Zn, Cd): Important Candidates for Half-Metallic Ferromagnetic and Spintronic Applications