Spectral functions of Sr<sub>2</sub>IrO<sub>4</sub>: theory versus experiment

Lenz, Benjamin; Martins, Cyril; Biermann, Silke

doi:10.1088/1361-648x/ab146a

Cited by 18 publications

(4 citation statements)

References 95 publications

(248 reference statements)

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“…The values for U are those which have replicated the zero strain band structure using other methods. As a mean field analysis tends to overestimate the antiferromagnetic order we find a gap corresponding to experimental values at zero strain for a smaller U than other methods do 11,12,52 . The experimental compressive strain values 20 reach up to = −1.9%, so a quantitative prediction of the transition into a metallic state should be found at higher compressive strain values.…”

Section: Acknowledgmentsmentioning

confidence: 50%

Modeling multiorbital effects in Sr2IrO4 under strain and a Zeeman field

Engström,

Pereg-Barnea,

Witczak-Krempa

2020

Preprint

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We present a comprehensive study of a three-orbital lattice model suitable for the layered iridate Sr2IrO4. Our analysis includes various on-site interactions (including Hubbard and Hund's) as well as compressive strain, and a Zeeman magnetic field. We use a self-consistent mean field approach with multiple order parameters to characterize the resulting phases. While in some parameter regimes the compound is well described by an effective J = 1/2 model, in other regimes the full multiorbital description is needed. As a function of the compressive strain, we uncover two quantum phase transitions: first a continuous metal-insulator transition, and subsequently a first order magnetic melting of the antiferromagnetic order. Crucially, bands of both J = 1/2 and J = 3/2 nature play important roles in these transitions. Our results qualitatively agree with experiments of Sr2IrO4 under strain induced by a substrate, and motivate the study of higher strains.

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Section: Acknowledgmentsmentioning

confidence: 50%

Modeling multiorbital effects in Sr2IrO4 under strain and a Zeeman field

Engström,

Pereg-Barnea,

Witczak-Krempa

2020

Preprint

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“…This approach goes by the name oriented cluster DMFT and was already introduced in Ref. [113,114] and applied to Sr 2 IrO 4 [113][114][115]. For completeness we show the equal energy maps obtained for every orientation compared to their respective mean in Fig.…”

Section: Averaging Dimer/diamond Orientationsmentioning

confidence: 99%

Formation of CuO$_2$ sublattices by suppression of interlattice correlations in tetragonal CuO

et al. 2023

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We investigate the tetragonal phase of the binary transition metal oxide CuO (t-CuO) within the context of cellular dynamical mean-field theory. Due to its strong antiferromagnetic correlations and simple structure, analysing the physics of t-CuO is of high interest as it may pave the way towards a more complete understanding of high-temperature superconductivity in hole-doped antiferromagnets. In this work we give a formal justification for the weak-coupling assumption that has previously been made for the interconnected sublattices within a single layer of t-CuO by studying the non-local self-energies of the system. We compute momentum-resolved spectral functions using a Matrix Product State (MPS)-based impurity solver directly on the real axis, which does not require any numerically ill-conditioned analytic continuation. The agreement with photoemission spectroscopy indicates that a single-band Hubbard model is sufficient to capture the material’s low energy physics. We perform calculations on a range of different temperatures, finding two magnetic regimes, for which we identify the driving mechanism behind their respective insulating state. Finally, we show that in the hole-doped regime the sublattice structure of t-CuO has interesting consequences on the symmetry of the superconducting state.

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“…This approach goes by the name oriented cluster DMFT and was already introduced in Ref. 84 and 85 and applied to Sr 2 IrO 4 [84][85][86]. For completeness we show the equal energy maps obtained for every orientation compared to their respective mean in Fig.…”

Section: Appendix B: Block Construction Schemementioning

confidence: 99%