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Title: Doping and temperature dependence of Mn 3d states in A-site ordered manganites
Authors: García-Fernández, M
Staub, U
Bodenthin, Y
Pomjakushin, V
Mirone, A
Fernández-Rodríguez, J
Scagnoli, V
Mulders, AM
Lawrence, SM
Pomjakushina, E
Keywords: X-ray diffraction
Crystal structure
Crystal doping
Oxygen ions
Temperature range
Magnetic moments
Issue Date: 6-Dec-2010
Publisher: American Physical Society
Citation: García-Fernández, M., Staub, U., Bodenthin, Y., Pomjakushin, V., Mirone, A., Fernández-Rodríguez, J., Scagnoli, V., Mulders, A. M., Lawrence, S. M., & Pomjakushina, E. (2010). Doping and temperature dependence of Mn 3d states in A-site ordered manganites. Physical Review B, 82(23), 235108. doi:10.1103/PhysRevB.82.235108
Abstract: 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 (SXRD) at the Mn L2,3 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. © 2010, American Physical Society
Gov't Doc #: 3315
ISSN: 1098-0121
Appears in Collections:Journal Articles

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