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Electronic structure of Tb0.5 Sr0.5 MnO3

Nguyen, TL and Rubio-Zuazo, J and Castro, GR and De Groot, FMF and Hariharan, N and Elizabeth, S and Oura, M and Tseng, YC and Lin, HJ and Chainani, A (2021) Electronic structure of Tb0.5 Sr0.5 MnO3. In: Physical Review B, 103 (24).

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Official URL: https://doi.org/10.1103/PhysRevB.103.245131


We study the electronic structure of single-crystal Tb0.5Sr0.5MnO3, a non-charge-ordered mixed-valent semiconductor which exhibits a glassy magnetic ground state. We use the techniques of soft x-ray photoemission, hard x-ray photoemission, x-ray absorption, and resonant photoemission spectroscopy to investigate the occupied and unoccupied electronic states of Tb0.5Sr0.5MnO3. Core level photoemission and x-ray absorption spectroscopy allow us to determine the valence states of Tb, Sr, and Mn ions in Tb0.5Sr0.5MnO3. Model charge transfer multiplet calculations of core level photoemission and x-ray absorption spectra are employed to separate out the Mn3+ and Mn4+ states and confirm their relative concentrations. Resonant photoemission spectroscopy across the Mn 2p-3d threshold shows clear resonant enhancement of the Mn 3d partial density of states and two-hole correlation satellites. A Cini-Sawatzky analysis gives on-site Coulomb energy Udd�5.5±0.2 eV for the Mn 3dn states and Upd = 0.7 eV±0.2 eV for the Mn 3dn+1L̲1 states. The O 1s-2p resonant photoemission is used to identify the O 2p two-hole correlation satellite which provides Upp�3.4±0.2 eV for the O 2p states. Valence band photoemission indicates a small-gap semiconductor (<100 meV) consistent with electrical transport measurements. The estimated electronic structure parameters of the on-site Coulomb energies, in combination with the charge transfer energy and the hybridization strength obtained from the model calculations, indicate that Tb0.5Sr0.5MnO3 is a strongly correlated charge transfer type semiconductor. © 2021 American Physical Society.

Item Type: Journal Article
Publication: Physical Review B
Publisher: American Physical Society
Additional Information: The copyright for this article belongs to American Physical Society
Keywords: Charge transfer; Core levels; Crystal structure; Electronic states; Electronic structure; Ground state; Manganese; Manganese metallography; Manganese oxide; Photoelectron spectroscopy; Single crystals; Strontium compounds; Terbium compounds; X ray absorption spectroscopy; X rays, Core-level photoemission; Electrical transport measurements; Hard X-ray photoemission; Partial density of state; Resonant photoemission spectroscopy; Soft x-ray photoemission; Unoccupied electronic state; Valence band photoemission, Semiconducting manganese compounds
Department/Centre: Division of Physical & Mathematical Sciences > Physics
Date Deposited: 02 Sep 2021 11:27
Last Modified: 02 Sep 2021 11:27
URI: http://eprints.iisc.ac.in/id/eprint/69612

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