Theoretical study of insulating mechanism in multiorbital Hubbard models with a large spin-orbit coupling: Slater versus Mott scenario in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mrow><mml:mtext>Sr</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mrow><mml:mtext>IrO</mml:mtext></mml:mrow><mml:mn>4</mml:mn></mml:msub></mml:math>

Watanabe, Hiroshi; Shirakawa, Tomonori; Yunoki, Seiji

doi:10.1103/physrevb.89.165115

Cited by 59 publications

(43 citation statements)

References 91 publications

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“…Upon increasing U, a canted G-type antiferromagnetic (AFM) metallic state with a net in-plane magnetic moment emerges [14]. A further increase of U opens a gap, leading to a G-type AFM insulating state [45] [46,47].…”

Section: Spin-orbit Semimetal Sriro 3 In the Two-dimensional Limitmentioning

confidence: 99%

Spin-Orbit Semimetal SrIrO3 in the Two-Dimensional Limit

Autieri²,

et al. 2017

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We investigate the thickness-dependent electronic structure of ultrathin SrIrO 3 and discover a transition from a semimetallic to a correlated insulating state below 4 unit cells. Low-temperature magnetoconductance measurements show that spin fluctuations in the semimetallic state are significantly enhanced while approaching the transition point. The electronic structure is further studied by scanning tunneling spectroscopy, showing that 4 unit cells SrIrO 3 is on the verge of a gap opening. Our density functional theory calculations reproduce the critical thickness of the transition and show that the opening of a gap in ultrathin SrIrO 3 is accompanied by antiferromagnetic order.

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Section: Spin-orbit Semimetal Sriro 3 In the Two-dimensional Limitmentioning

confidence: 99%

Spin-Orbit Semimetal SrIrO3 in the Two-Dimensional Limit

Autieri²,

et al. 2017

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“…The ideal realization of the J eff = 1/2 state carries a magnetic moment of 1μ B ; however, experimental values of 0.5μ B [8,9] suggest significant degrees of itineracy. The perovskite iridates are therefore located in the intermediate-coupling regime, and the insulating state has been proposed to exhibit both Slater and Mott characteristics [5,10,11]. The bilayer compound Sr 3 Ir 2 O 7 (n = 2) marginally retains the insulating J eff = 1/2 state [12][13][14].…”

Section: Introductionmentioning

confidence: 99%

Pressure dependence of the structure and electronic properties ofSr3Ir2O7

et al. 2016

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We study the structural evolution of Sr 3 Ir 2 O 7 as a function of pressure using x-ray diffraction. At a pressure of 54 GPa at room temperature, we observe a first-order structural phase transition, associated with a change from tetragonal to monoclinic symmetry and accompanied by a 4% volume collapse. Rietveld refinement of the high-pressure phase reveals a novel modification of the Ruddlesden-Popper structure, which adopts an altered stacking sequence of the perovskite bilayers. As the positions of the oxygen atoms could not be reliably refined from the data, we use density functional theory (local-density approximation+U +spin orbit) to optimize the crystal structure and to elucidate the electronic and magnetic properties of Sr 3 Ir 2 O 7 at high pressure. In the low-pressure tetragonal phase, we find that the in-plane rotation of the IrO 6 octahedra increases with pressure. The calculations further indicate that a bandwidth-driven insulator-metal transition occurs at ∼20 GPa, along with a quenching of the magnetic moment. In the high-pressure monoclinic phase, structural optimization resulted in complex tilting and rotation of the oxygen octahedra and strongly overlapping t 2g and e g bands. The t 2g bandwidth renders both the spin-orbit coupling and electronic correlations ineffectual in opening an electronic gap, resulting in a robust metallic state for the high-pressure phase of Sr 3 Ir 2 O 7 .

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“…The evolution of the charge gap and transport behavior upon cooling is seemingly driven by a complex interplay between the underlying Mott gap and the onset of longrange antiferromagnetic (AF) order. One manifestation of this interplay appears as an enhancement of the charge gap as the system is cooled through T AF 12, 13 , suggesting an underlying ground state with mixed Slater-like and Mott character 14,15 . A canted antiferromagnetic (CAF) state is stabilized in the parent state of Sr-214 below T AF ≈ 230 K 9,16 .…”

Section: Introductionmentioning

confidence: 99%

Influence of electron doping on the ground state of(Sr1−xLax)2IrO4

et al. 2015

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The evolution of the electronic properties of electron-doped (Sr1−xLax)2IrO4 is experimentally explored as the doping limit of La is approached. As electrons are introduced, the electronic ground state transitions from a spin-orbit Mott phase into an electronically phase separated state, where long-range magnetic order vanishes beyond x = 0.02 and charge transport remains percolative up to the limit of La substitution (x ≈ 0.06). In particular, the electronic ground state remains inhomogeneous even beyond the collapse of the parent state's long-range antiferromagnetic order, while persistent short-range magnetism survives up to the highest La-substitution levels. Furthermore, as electrons are doped into Sr2IrO4, we observe the appearance of a low temperature magnetic glass-like state intermediate to the complete suppression of antiferromagnetic order. Universalities and differences in the electron-doped phase diagrams of single layer and bilayer Ruddlesden-Popper strontium iridates are discussed.

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Theoretical study of insulating mechanism in multiorbital Hubbard models with a large spin-orbit coupling: Slater versus Mott scenario inSr2IrO4

Cited by 59 publications

References 91 publications

Spin-Orbit Semimetal SrIrO3 in the Two-Dimensional Limit

Spin-Orbit Semimetal SrIrO3 in the Two-Dimensional Limit

Pressure dependence of the structure and electronic properties ofSr3Ir2O7

Influence of electron doping on the ground state of(Sr1−xLax)2IrO4

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