Hard x-ray probe to study doping-dependent electron redistribution and strong covalency in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>La</mml:mtext></mml:mrow><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mrow><mml:mtext>Sr</mml:mtext></mml:mrow><mml:mrow><mml:mn>1</mml:mn><mml:mo>+</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mrow><mml:mtext>MnO</mml:mtext></mml:m

Herrero‐Martín, Javier; Mirone, Alessandro; Fernández-Rodríguez, Javier; Glatzel, Pieter; Garcı́a, J.; Blasco, Javier; Geck, J.

doi:10.1103/physrevb.82.075112

Cited by 28 publications

(26 citation statements)

References 45 publications

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“…This view is consistent with very recent investigation of the Mn K ␤ fluorescence spectroscopy 28 and theoretical calculations based on LDA+ U of the electronic structure of manganites. 29 They find that the holes are introduced at the oxygen sites, forming an e g symmetry orbital, leaking charge to the former Mn 4+ sites.…”

Section: Discussionsupporting

confidence: 92%

Doping and temperature dependence ofMn 3dstates inA-site ordered manganites

et al. 2010

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We present a systematic study of the electronic structure in A-site ordered manganites as function of doping and temperature. The energy dependencies observed with soft x-ray resonant diffraction ͑SXRD͒ at the Mn L 2,3 edges are compared with structural investigations using neutron powder diffraction as well as with cluster calculations. The crystal structures obtained with neutron powder diffraction reflect the various orbital and charge ordered phases, and show an increase in the Mn-O-Mn bond angle as function of doping and temperature. Cluster calculations show that the observed spectral changes in SXRD as a function of doping are more pronounced than expected from an increase in bandwitdh due to the increase in Mn-O-Mn bond angle and are best described by holes that are distributed at the neighboring oxygen ions. These holes are not directly added to the Mn 3d shell but centered at the Mn site. In contrast, the spectral changes in SXRD as function of temperature are best described by an increase of magnetic correlations. This demonstrates the strong correlations between orbitals and magnetic moments of the 3d states.

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Section: Discussionsupporting

confidence: 92%

Doping and temperature dependence ofMn 3dstates inA-site ordered manganites

et al. 2010

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“…At this point, the integral of the absolute values of the difference spectra (IAD) appears as a robust quantitative indicator of the thermal evolution of the SS. 30,33,[37][38][39] Within this differential method between a compound matter of study and a reference with a known oxidation and SS, a direct relation (approximately linear, provided a similar local structure around the photoabsorbing ion in both compounds) relates the difference in the number of unpaired spins per photoabsorbing ion ( S) in the valence band with the IAD values, crossing the origin of the plot ( S = IAD = 0). We have tested the IS and the HS state models for Co 3+ ions at 295 K. The vertical axis coordinate in data points in Fig.…”

Section: Resultsmentioning

confidence: 99%

Spin-state transition in Pr0.5Ca0.5CoO3analyzed by x-ray absorpt

et al. 2012

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We present a study of the Co spin-state changes in Pr 0.5 Ca 0.5 CoO 3 across the metal-insulator transition by means of the analysis of two complementary synchrotron x-ray spectroscopic techniques. Recorded experimental and charge transfer multiplet-based calculated Co L 2,3 absorption spectra, in combination with Co Kβ main emission lines, indicate that Co 3+ ion spin state evolves from low in the insulating phase to a low:high mixed state in the metallic regime, close to a 1:1 ratio at ambient temperature. A pure high spin state can be discarded, while the occurrence of an intermediate state is also questioned.

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“…32,48 Assuming that the difference between the components of the atomic scattering tensor comes exclusively from the different energy position of the absorption edge, the only fitting parameter is the chemical shift which could be correlated with the difference in the formal valence state between both Mn atoms. 49,50 We note that the x-ray absorption coefficients with the polarization vector along either the x or y directions are μ xx (exp) = [μ xx (Mn1) + μ xx (Mn2)]/2 and μ yy (exp) = [μ yy (Mn1) + μ yy (Mn2)]/2, respectively.…”

Section: Simulations and Analysis Of The Resonant X-ray Scatteringmentioning

confidence: 99%

Structural changes at the semiconductor-insulator phase transition in the single-layered perovskiteLa0.5Sr1.5MnO4

Herrero‐Martín¹,

Blasco²,

Garcı́a³

et al. 2011

Phys. Rev. B

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The semiconductor-insulator phase transition of the single-layer manganite La 0.5 Sr 1.5 MnO 4 has been studied by means of high-resolution synchrotron x-ray powder diffraction and resonant x-ray scattering at the Mn K edge. We conclude that a concomitant structural transition from tetragonal I4/mmm to orthorhombic Cmcm phases drives this electronic transition. A detailed symmetry-mode analysis reveals that condensation of three soft modes-2 (B 2u ), X + 1 (B 2u ) and X + 1 (A)-acting on the oxygen atoms accounts for the structural transformation. The 2 mode leads to a pseudo Jahn-Teller distortion (in the orthorhombic bc plane only) on one Mn site (Mn1), whereas the two X + 1 modes produce an overall contraction of the other Mn site (Mn2) and expansion of the Mn1 one. The X + 1 modes are responsible for the tetragonal superlattice (1/2,1/2,0)-type reflections in agreement with a checkerboard ordering of two different Mn sites. A strong enhancement of the scattered intensity has been observed for these superlattice reflections close to the Mn K edge, which could be ascribed to some degree of charge disproportion between the two Mn sites of about 0.15 electrons. We also found that the local geometrical anisotropy of the Mn1 atoms and its ordering originated by the condensed 2 mode alone perfectly explains the resonant scattering of forbidden (1/4,1/4,0)-type reflections without invoking any orbital ordering.

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Hard x-ray probe to study doping-dependent electron redistribution and strong covalency inLa1−xSr1+xMnO

Cited by 28 publications

References 45 publications

Doping and temperature dependence ofMn 3dstates inA-site ordered manganites

Doping and temperature dependence ofMn 3dstates inA-site ordered manganites

Spin-state transition in Pr0.5Ca0.5CoO3analyzed by x-ray absorpt

Structural changes at the semiconductor-insulator phase transition in the single-layered perovskiteLa0.5Sr1.5MnO4

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