4.6 Article

Doping and temperature dependence of Mn 3d states in A-site ordered manganites

Journal

PHYSICAL REVIEW B
Volume 82, Issue 23, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.82.235108

Keywords

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Funding

  1. Swiss National Science Foundation
  2. NCCR MaNEP
  3. Access to Major Research Facilities Programme, International Science Linkages Programme
  4. Backing Australia's Ability NSFCH
  5. Gobierno del Principado de Asturias
  6. Plan de Ciencia, Tecnologia e Innovacion (PCTI) de Asturias

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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 (SXRD) at the Mn L-2,L-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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