Structure, and magnetic and electrochemical properties of layered oxides, Li2IrO3

Kobayashi, Hironori; Tabuchi, Mitsuharu; Shikano, Masahiro; Kageyama, Hiroyuki; Kanno, Ryoji

doi:10.1039/b207282c

Cited by 81 publications

(106 citation statements)

References 21 publications

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“…Some examples that can be modeled with the Kitaev-Heisenberg Hamiltonian are A 2 IrO 3 (A = Li, Na). However, experimental evidence of superconductivity has not been reported yet [11][12][13][14][15]. More recently, through substitution of Ir 4+ (5d 5 ) by Ru 4+ (4d 4 ) in Li 2 IrO 3 , the compound A 2 Ir 1−x Ru x O 3 (A = Li, Na) is found to be even non-metallic [16].…”

Section: Introductionmentioning

confidence: 99%

Effect of disorder on the dimer transition of the honeycomb-lattice compoundLi2RuO3

et al. 2016

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We report the dependence of magnetic properties on the crystalline disorder in Li2RuO3 with Ru honeycomb lattice. This oxide exhibits unconventional Ru-dimer transition below T d ∼ 540 K. We demonstrate that the cell parameters, related to the coherence of the dimer formation, are strongly dependent on the synthesis procedure. We show that the magnetic behavior at the dimer transition is closely related to the lattice parameters. In particular, we revealed that samples with wellordered dimers exhibit a first-order magnetic transition with the onset exceeding 550 K, higher than that reported previously. We discuss possible dimer configurations leading to this magneto-lattice coupling.

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Section: Introductionmentioning

confidence: 99%

Effect of disorder on the dimer transition of the honeycomb-lattice compoundLi2RuO3

et al. 2016

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“…The KM can be solved exactly and its ground state is an exotic magnetically disordered quantum "spin liquid" [7]. However, it is experimentally established that both honeycomb Iridate compounds order magnetically: Na 2 IrO 3 orders at T N = 18 K [8], and Li 2 IrO 3 orders at T N = 15 K [9,10]. There are many theoretical proposals for the interactions supplementary to the Kitaev model that would cause magnetic ordering including, additional exchange processes [10][11][12][13][14][15][16], strong trigonal fields [17], or weak coupling instabilities [18]; currently there is no consensus on which of these is correct.…”

mentioning

confidence: 99%

Evolution of magnetism in the single-crystal honeycomb iridates(Na1−xLix)2IrO3
Cao
¹
,
Qi
²
,
Li
³

et al. 2013
Phys. Rev. B
65
2
75
2
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We report the successful synthesis of single-crystals of the layered iridate, (Na1−xLix)2IrO3, 0 ≤ x ≤ 0.9, and a thorough study of its structural, magnetic, thermal and transport properties. The new compound allows a controlled interpolation between Na2IrO3 and Li2IrO3, while maintaing the novel quantum magnetism of the honeycomb Ir 4+ planes. The measured phase diagram demonstrates a suppression of the Néel temperature, TN , at an intermediate x indicating that the magnetic order in Na2IrO3 and Li2IrO3 are distinct. X-ray data shows that for x ≈ 0.7 when TN is suppressed the most, the honeycomb structure is least distorted, suggesting at this intermediate doping that the material is closest to the spin liquid that has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic data with a single-ion theoretical model we also show that the trigonal splitting, on the Ir 4+ ions changes sign from Na2IrO3 to Li2IrO3.

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“…A maximally localized Wannier function formalism 22,23 is used for our calculations as implemented in the OPENMX code. 24 There have been some structure studies on Li 2 IrO 3 ; 25,26 in one of them a C2/c unit cell 25 is claimed, whereas in the other one it is suggested that the C2/m model gives the best fit to the x-ray diffraction data. 26 Both of the unit cells have qualitatively similar structure, with the same type of alternate stacking of Li 1/3 Ir 2/3 O 2 and Li layers, as shown in Figs.…”

Section: Electronic Structure Calculationsmentioning

confidence: 99%

Strain-induced topological insulator phase and effective magnetic interactions in Li2IrO3

Kim

Jeong

et al. 2013

Phys. Rev. B

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We present an effective tight-binding Hamiltonian for Li 2 IrO 3 based on maximally localized Wannier functions for states near the Fermi level as obtained from first-principles electronic structure calculations. The majority of the Wannier orbitals are positioned on the center site with dominant j eff = 1/2 character, while relatively small j eff = 3/2 tails lie on the three nearest-neighbor sites. Interestingly, the spin quantization axis of the j eff = 1/2 components deviates from the local octahedral axis and points toward the nearest-neighbor Ir direction. In our tight-binding model, there are relatively strong next-nearest-and the third-nearest-neighbor hopping terms within the two-dimensional Ir honeycomb lattice in addition to the relatively small but significant interlayer hopping terms. The ratio between the nearest-neighbor and the third-nearest-neighbor hoppings, which can be controlled by the lattice strain, plays a critical role in determinating the Z 2 -invariant character of Li 2 IrO 3 . From our tight-binding model, we also derive an effective Hamiltonian and its parameters for the magnetic exchange interactions. Due to the complex spin-dependent next-nearest-neighbor hopping terms, our pseudospin Hamiltonian includes significant next-nearest-neighbor antiferromagnetic Kitaev terms as well as DzyaloshinskiiMoriya and Heisenberg interactions. From our model Hamiltonian we estimate classical energies of collinear magnetic configurations as functions of the Hund's coupling of the Ir atom, from which zigzag-type magnetic order gives the lowest energy.

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Structure, and magnetic and electrochemical properties of layered oxides, Li2IrO3

Cited by 81 publications

References 21 publications

Effect of disorder on the dimer transition of the honeycomb-lattice compoundLi2RuO3

Effect of disorder on the dimer transition of the honeycomb-lattice compoundLi2RuO3

Evolution of magnetism in the single-crystal honeycomb iridates(Na1−xLix)2IrO3
Cao
¹
,
Qi
²
,
Li
³

et al. 2013
Phys. Rev. B
65
2
75
2
View full text Add to dashboard Cite

Strain-induced topological insulator phase and effective magnetic interactions in Li2IrO3

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Structure, and magnetic and electrochemical properties of layered oxides, Li2IrO3

Cited by 81 publications

References 21 publications

Effect of disorder on the dimer transition of the honeycomb-lattice compoundLi2RuO3

Effect of disorder on the dimer transition of the honeycomb-lattice compoundLi2RuO3

Evolution of magnetism in the single-crystal honeycomb iridates(Na1−xLix)2IrO3Cao1, Qi2, Li3 et al. 2013Phys. Rev. B652752View full textAdd to dashboardCite

Strain-induced topological insulator phase and effective magnetic interactions in Li2IrO3

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Evolution of magnetism in the single-crystal honeycomb iridates(Na1−xLix)2IrO3
Cao
¹
,
Qi
²
,
Li
³

et al. 2013
Phys. Rev. B
65
2
75
2
View full text Add to dashboard Cite