2007
DOI: 10.1103/physrevb.76.085102
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Manifestation of screening effects andAOcovalency in the core level spectra ofAsite elements in theAB

Abstract: We investigate the evolution of Ca 2p and Sr 3d core level spectra in Ca 1−x Sr x RuO 3 using photoemission spectroscopy. Core level spectra in this system exhibit multiple features and unusual evolution with the composition and temperatures. Analysis of the core level spectra in conjunction with the band structure results indicates final state effects due to different core hole screening channels. Such screening in the photoemission final states can be attributed to the large A-O covalency in these systems. C… Show more

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Cited by 38 publications
(29 citation statements)
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“…The energy bands below forming the valence band are the bonding eigenstates consisting of dominant 2 p orbital character. The covalency between these states could be attributed to the large radial extension of the 4 d orbitals overlapping strongly with the neighboring states as also observed in other 4 d systems2728. The calculated results within the local density approximation are consistent with the experimental spectra - subtle differences between the experiment and theory could not be captured via inclusion of electron correlation and/or consideration of spin-orbit coupling in these LDA calculations.…”
Section: Discussionsupporting
confidence: 66%
“…The energy bands below forming the valence band are the bonding eigenstates consisting of dominant 2 p orbital character. The covalency between these states could be attributed to the large radial extension of the 4 d orbitals overlapping strongly with the neighboring states as also observed in other 4 d systems2728. The calculated results within the local density approximation are consistent with the experimental spectra - subtle differences between the experiment and theory could not be captured via inclusion of electron correlation and/or consideration of spin-orbit coupling in these LDA calculations.…”
Section: Discussionsupporting
confidence: 66%
“…The compression 44 along c -axis due to the transition to the cT phase reduces the separation between the Ca and As atomic layers and the hybridization between Ca 4 s and As 4 p will be enhanced. It is clear that although the Ca contribution in the valence band regime is small, it is difficult to ignore the role of Ca in the structural changes and their electronic structure as well 45, 46 . Almost all the high temperature (unconventional) superconductors exhibit effective two dimensional electronic structure, where the conduction sheet is separated by an insulating layer, often called ‘ charge reservoir ’ layer.…”
Section: Resultsmentioning
confidence: 99%
“…The conventional wisdom, though seems justified from the perspective of electronic structure; the alkaline earths at A sites contribute negligibly to the density of states at the Fermi level, ⑀ F . 4,10,11 Thus, the anomalous experimental observation appears apparently puzzling. Recent band-structure calculations 4 and x-ray photoemission study, 11 however, indicate significant covalency between A-site elements and oxygen that introduces orthorhombic distortions.…”
Section: Introductionmentioning
confidence: 99%