Identification of hidden orbital contributions in the La0.65Sr0.35MnO3 valence band
| Autor: | Francesco Borgatti, S. Picozzi, Anna Regoutz, V. Lollobrigida, Tommaso Pincelli, Giovanni Vinai, David J. Payne, Aleksandr Yu Petrov, Kunihiko Yamauchi, Francesco Offi, Tien-Lin Lee, Christoph Schlueter, Adriano Verna, Gian Marco Pierantozzi, G. Panaccione |
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| Rok vydání: | 2021 |
| Předmět: |
Range (particle radiation)
Materials science Physics and Astronomy (miscellaneous) Spintronics Condensed matter physics Photon energy Symmetry (physics) Spectral line Condensed Matter::Materials Science Atomic orbital Transition metal Condensed Matter::Strongly Correlated Electrons General Materials Science Density functional theory |
| Zdroj: | Physical Review Materials. 5 |
| ISSN: | 2475-9953 |
| DOI: | 10.1103/physrevmaterials.5.104403 |
| Popis: | Hybridization of electronic states and orbital symmetry in transition metal oxides are generally considered key ingredients in the description of both their electronic and magnetic properties. In the prototypical case of ${\mathrm{La}}_{0.65}{\mathrm{Sr}}_{0.35}{\mathrm{MnO}}_{3}$ (LSMO), a landmark system for spintronics applications, a description based solely on Mn $3d$ and O $2p$ electronic states is reductive. We thus analyzed elemental and orbital distributions in the LSMO valence band through a comparison between density functional theory calculations and experimental photoelectron spectra in a photon energy range from soft to hard x rays. We reveal a number of hidden contributions, arising specifically from La $5p$, Mn $4s$, and O $2s$ orbitals, considered negligible in previous analyses; our results demonstrate that all these contributions are significant for a correct description of the valence band of LSMO and of transition metal oxides in general. |
| Databáze: | OpenAIRE |
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