Core level and valence band spectroscopy of SrRuO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>3</mml:mn></mml:msub></mml:math>: Electron correlation and covalence effects

Guedes, E. B.; Abbate, M.; Ishigami, Kousei; Fujimori, A.; Yoshimatsu, K.; Kumigashira, Hiroshi; Oshima, Masaharu; Vicentin, Flávio C.; Fonseca, P. T.; Mossanek, R. J. O.

doi:10.1103/physrevb.86.235127

Cited by 20 publications

(36 citation statements)

References 49 publications

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“…However, it is possible to use the sum rules for XMCD developed by Thole and Carra et al 21,22 to extract from our XMCD data the orbital (L z ) and spin (2S z ) moments: estimated to be about N h = 5.2 by our cluster calculations, in agreement with previous estimates 26 , reflecting the highly mixed p − d covalency of the ground state in SrRuO 3 . In estimating the XAS intensities, the edge jump background, described as arctan function, has been subtracted from the XAS spectra (dashed curve in Fig.…”

Section: Samplesupporting

confidence: 88%

Electronic and spin states ofSrRuO3thin films: An x-ray magnetic circular dichroism study

Agrestini

Kuo

et al. 2015

Phys. Rev. B

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We report a study of the local magnetism in thin films of SrRuO3 grown on (111) and (001) oriented SrTiO3 substrates using x-ray magnetic circular dichroism spectroscopy (XMCD) at the Ru-L2,3 edges. The application of the sum rules to the XMCD data gives an almost quenched orbital moment and a spin moment close to the value expected for the low spin state S = 1 . Full-multiplet cluster calculations indicate that the low spin state is quite stable and suggest that the occurrence of a transition to the high spin state S = 2 in strained thin films of SrRuO3 is unlikely as it would be too expensive in energy.PACS numbers: 75.70. Ak, 75.47.Lx, 78.70.Dm, 72.80.Ga Despite being investigated already for about five decades the physical properties of SrRuO 3 keeps fascinating the scientific community. SrRuO 3 is one of the few known 4d transition metal oxide ferromagnets with T c as high as 160 K 1,2 . Its non-integer magnetic moment has been interpreted in terms of a surprising rare example of itinerant ferromagnetism in oxides 3,4 . More recently, the possibility of employing thin films of SrRuO 3 as conducting layer in epitaxial heterostructures of functional oxides has aroused a wide attention from the applied science community 5 .SrRuO 3 is a perovskite compound with an orthorhombic GdFeO 3 type structure 6,7 . The orthorhombic distortion arises from the zig-zag tilting, along the c-axis, and rotation, around the b-axis, of the corner-sharing RuO 6 octahedra. Despite this distortion the RuO 6 octahedra remain nearly regular 7-9 . In a localized picture, the strong crystal field at the octahedral site splits the Ru 4d bands of the Ru 4+ ions into e g and t 2g levels, leading to a low spin (LS) t 4 2g configuration with S = 1. Theoretical calculations 10-13 and a X-ray magnetic circular dichroism (XMCD) study 14 suggest that the orbital moment in SrRuO 3 should be quenched. High magnetic field measurements on a bulk single crystal give a saturated magnetization of 1.6 µ B /Ru ion 15 , a value similar to the ordered magnetic moment determined by neutron diffraction experiments 2,9 .While the technology for growing high quality SrRuO 3 thin films on (001) oriented SrTiO 3 substrates, SRO/(001)STO, was developed long time ago and is well known 5 , the systematic growth of thin films on (111) oriented SrTiO 3 substrates, SRO/(111)STO, is quite recent 16,17 . Very surprisingly the first SQUID measurements of SRO/(111)STO films have provided a saturated moment of 3.4 µ B /Ru ion 17,18 , a value that is much higher than that observed in bulk SrRuO 3 and exceeds the atomic moment of 2 µ B /Ru ion expected for a S = 1 spin state. In order to explain the SQUID results it has been proposed 18 that the trigonal compressive strain induced by the (111)STO substrate onto the film would stabilize the high spin state (HS) S = 2, which is very surprising as a HS state is unusual in 4d oxides. Even more intriguing, an unquenched orbital moment of about 0.32 µ B has been reported for these strained films on the basis of XMCD measuremen...

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Section: Samplesupporting

confidence: 88%

Electronic and spin states ofSrRuO3thin films: An x-ray magnetic circular dichroism study

Agrestini

Kuo

et al. 2015

Phys. Rev. B

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“…In MoO 2 , the large value for T is due to the dimerization that occurs between neighboring Mo 4+ ions. Overall, the parameters for RuO 2 and MoO 2 are in good agreement with those reported in similar materials [8,21], but no previous cluster model studies were found for the Rh 2 O 3 compound. Table II presents the main contributions to the ground state of Rh 2 O 3 , RuO 2 , and MoO 2 .…”

Section: B Resonant Photoemissionsupporting

confidence: 86%

“…Because the intra-atomic parameter J affects mostly the x-ray-absorption spectral shape, rather than the valence-band spectra, the current values for J were obtained by reproducing the O 1s x-ray-absorption spectra with the corresponding cluster calculations [37]. The coherent screening parameters * and T * for RuO 2 and MoO 2 are consistent with their metallic character and in line with previous studies [18,21]. In MoO 2 , the large value for T is due to the dimerization that occurs between neighboring Mo 4+ ions.…”

Section: B Resonant Photoemissionsupporting

confidence: 76%

“…Here, we aim to study the photon energy dependence of the intensities in the valence-band structure of 4d TMO's, as well as to reproduce the effect of the interference between direct and indirect photoemission processes illustrated by Fano line-shape curves. Since cluster model calculations have produced reliable results in the description of several TMO compound spectra [8,[18][19][20][21], we propose to combine Davis and Feldkamp's extension of Fano's theory [14] with an extended cluster model to describe 4d TMO resonance within the L 3 (2p 3/2 ) absorption edge. To do so, we choose three TM 4d compounds with the following crystal structures and ionic fillings: Rh 2 O 3 (a regular d 6 semiconductor), RuO 2 (a regular d 4 metal), and MoO 2 (a distorted d 2 metal).…”

Section: Introductionmentioning

confidence: 99%

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Charge screening effects in the resonant photoemission of Rh2O3, RuO2 , and MoO2
Stoeberl
¹
,
Guedes
²
,
Abbate
³

et al. 2020
Phys. Rev. B
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We have performed valence-band resonant photoemission spectroscopy across the transition-metal (TM) L 3 edge of Rh 2 O 3 , RuO 2 , and MoO 2. This technique allows us to access important information on the partial contribution of each respective TM. We show that an extended cluster model, coupled with transitions between discrete and continua states, describes well the overall resonance behavior as well as the experimental constant initial-state (CIS) spectra. Moreover, we analyze the resonant enhancement of the main lines and satellite structures to discuss the influence of the different charge regimes, the TM-O 2p hybridization, and additional charge screenings to the CIS signal. Finally, we argue that this approach can be extended to the study of other transition-metal oxides.

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“…We studied the electronic structure of SFMO using a cluster model approach, [16][17][18][19] which consists of two FeO 6 and MoO 6 octahedra which are either connected (double cluster model) or not (single cluster model) by one corner O atom. This method includes both the Fe 3d-O 2p and Mo 4d-O 2p hybridization, as well as the Mo-O-Fe charge uctuations in the FeO 6 -MoO 6 double cluster.…”

Section: Introductionmentioning

confidence: 99%

Many-body effects and non-local charge fluctuations in the double perovskite Sr₂FeMoO₆

et al. 2018

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Core level and valence band spectroscopy of SrRuO3: Electron correlation and covalence effects

Cited by 20 publications

References 49 publications

Electronic and spin states ofSrRuO3thin films: An x-ray magnetic circular dichroism study

Electronic and spin states ofSrRuO3thin films: An x-ray magnetic circular dichroism study

Charge screening effects in the resonant photoemission of Rh2O3, RuO2 , and MoO2
Stoeberl
¹
,
Guedes
²
,
Abbate
³

et al. 2020
Phys. Rev. B
Self Cite
1
0
0
0
View full text Add to dashboard Cite

Many-body effects and non-local charge fluctuations in the double perovskite Sr₂FeMoO₆

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Core level and valence band spectroscopy of SrRuO3: Electron correlation and covalence effects

Cited by 20 publications

References 49 publications

Electronic and spin states ofSrRuO3thin films: An x-ray magnetic circular dichroism study

Electronic and spin states ofSrRuO3thin films: An x-ray magnetic circular dichroism study

Charge screening effects in the resonant photoemission of Rh2O3, RuO2 , and MoO2Stoeberl1, Guedes2, Abbate3 et al. 2020Phys. Rev. BSelf Cite1000View full textAdd to dashboardCite

Many-body effects and non-local charge fluctuations in the double perovskite Sr2FeMoO6

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Charge screening effects in the resonant photoemission of Rh2O3, RuO2 , and MoO2
Stoeberl
¹
,
Guedes
²
,
Abbate
³

et al. 2020
Phys. Rev. B
Self Cite
1
0
0
0
View full text Add to dashboard Cite

Many-body effects and non-local charge fluctuations in the double perovskite Sr₂FeMoO₆