Imaging of 3d Mn orbitals in the ferromagnetic state for Ca-substituted manganite: Magnetic Compton investigation

Christopher Rumble, M. Itou, N. Hiraoka, Y. Sakurai, Y. Tomioka, Y. Tokura, James E. Penner-Hahn, and Aniruddha Deb
Phys. Rev. B 85, 045128 – Published 25 January 2012

Abstract

The 3d Mn orbitals in Pr0.25Ca0.25MnO3 (PCMO), in the ferromagnetic phase, were imaged by two-dimensional reconstruction of spin-polarized electron-momentum density projected along the [100] and [110] principal directions. The results were analyzed using a molecular-orbital scheme to understand the population distribution for the t2g and the eg states for Mn. The analysis shows that the t2g states are found to be half-filled, whereas, the eg states are dominated mainly by x2z2-type orbitals for both projected [100] and [110] principal directions. The observance of preferential filling of the x2z2-orbital type is consistent with a cooperative Jahn-Teller distortion of the MnO6 octahedra leading to a local tetragonal compression along the y axis for this system. As a result of this distortion, the 3y2r2-type orbitals have a small population for PCMO; the ratio of the x2z2-type orbitals to that of the 3y2r2-type orbitals is greater than 2, similar to that seen for bilayered manganites.

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  • Received 12 July 2011

DOI:https://doi.org/10.1103/PhysRevB.85.045128

©2012 American Physical Society

Authors & Affiliations

Christopher Rumble1, M. Itou2, N. Hiraoka3, Y. Sakurai2, Y. Tomioka4, Y. Tokura5,6, James E. Penner-Hahn1, and Aniruddha Deb1,*

  • 1Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, USA
  • 2Japan Synchrotron Radiation Research Institute (JASRI), SPring-8, Sayo, Hyogo 679-5198, Japan
  • 3National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan
  • 4Electronics and Photonics Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba Central 4, 1-1-1 Higashi Tsukuba 305-8562, Japan
  • 5Department of Applied Physics, University of Tokyo, Bunkyo-ku, Tokyo 113-8656, Japan
  • 6Cross-Correlated Materials Research Group (CMRG) and Correlated Electron Research Group (CERG), Advanced Science Institute, RIKEN, Wako 351-0198, Japan

  • *Corresponding author: debani@umich.edu

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Issue

Vol. 85, Iss. 4 — 15 January 2012

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