2007
DOI: 10.1103/physrevb.75.035122
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Evidence for strong electronic correlations in the spectra ofSr2RuO4

Abstract: The importance of electronic correlation effects in the layered perovskite Sr2RuO4 is evidenced. To this end we use state-of-the-art LDA+DMFT (Local Density Approximation + Dynamical MeanField Theory) in the basis of Wannier functions to compute spectral functions and the quasiparticle dispersion of Sr2RuO4. The spectra are found to be in good agreement with various spectroscopic experiments. We also calculate the k-dependence of the quasiparticle bands and compare the results with new angle resolved photoemis… Show more

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Cited by 74 publications
(79 citation statements)
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“…We take as parameters U = 3.1 eV and J = 0.7 eV, in line with theoretical estimates. 2,36 We find that p is somewhat smaller than in the LDA: At 290 K, p DMFT ∼ −0.11 for Sr 2 RuO 4 and p DMFT ∼ 0 for Sr 3 Ru 2 O 7 . Thus, due to many-body effects, holes are partially transferred from the xy bands to the xz and yz bands; 16 however, down to 290 K the trend remains the same as in the LDA.…”
Section: Resultsmentioning
confidence: 94%
“…We take as parameters U = 3.1 eV and J = 0.7 eV, in line with theoretical estimates. 2,36 We find that p is somewhat smaller than in the LDA: At 290 K, p DMFT ∼ −0.11 for Sr 2 RuO 4 and p DMFT ∼ 0 for Sr 3 Ru 2 O 7 . Thus, due to many-body effects, holes are partially transferred from the xy bands to the xz and yz bands; 16 however, down to 290 K the trend remains the same as in the LDA.…”
Section: Resultsmentioning
confidence: 94%
“…The main differences between the two results are (i) the size of the gap (slightly smaller for the cRPA values) and (ii) the shape of the lower Hubbard band. Both spectral functions exhibit Hubbard bands more or less in line with the spectra measured in photoemission, x-ray fluorescence emission, and x-ray absorption spectroscopy experiments [41,[43][44][45], thus it is difficult, based on experiments available so far, to decide conclusively in favor of one set or the other. For this reason we will present, when necessary, results for both the cLDA and cRPA parameter sets.…”
Section: Model and Methodsmentioning
confidence: 98%
“…The first, U = 3.1 eV and J = 0.7 eV, has been obtained for Sr 2 RuO 4 , the sister compound of Ca 2 RuO 4 , via the constrained local-density approximation (cLDA) [41]. These parameters have been already successfully used [23] to describe the metal-insulator transition in Ca 2 RuO 4 with the LDA+DMFT approach.…”
Section: Model and Methodsmentioning
confidence: 99%
“…In reality, U should be roughly constant as a function of x, with U ≈ 3.1 eV and J ≈ 0.7 eV according to constrained LDA calculations for x = 2 [11]. Thus, in Fig.…”
mentioning
confidence: 99%