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Identification of hidden orbital contributions in the La0.65Sr0.35MnO3 valence band

DOI: 10.1103/PhysRevMaterials.5.104403 DOI Help

Authors: F. Offi (Università Roma Tre) , K. Yamauchi (Osaka University) , S. Picozzi (Consiglio Nazionale delle Ricerche (CNR), sede temporanea di Chieti, c/o Università G. D'Annunzio) , V. Lollobrigida (Università Roma Tre) , A. Verna (Università Roma Tre) , C. Schlueter (Deutsches Elektronen-Synchrotron DESY) , T.-L. Lee (Diamond Light Source) , A. Regoutz (University College London) , D. J. Payne (Imperial College London) , A. Petrov (Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche (CNR)) , G. Vinai (Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche (CNR)) , G. M. Pierantozzi (Istituto Officina dei Materiali (IOM)-CNR) , T. Pincelli (Istituto Officina dei Materiali-CNR; Università di Milano) , G. Panaccione (Istituto Officina dei Materiali (IOM), Consiglio Nazionale delle Ricerche (CNR)) , F. Borgatti (Istituto per lo Studio dei Materiali Nanostrutturati (ISMN), Consiglio Nazionale delle Ricerche (CNR))
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Physical Review Materials , VOL 5

State: Published (Approved)
Published: October 2021
Diamond Proposal Number(s): 11322

Abstract: 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 La 0.65 Sr 0.35 MnO 3 (LSMO), a landmark system for spintronics applications, a description based solely on Mn 3 d and O 2 p 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 5 p , Mn 4 s , and O 2 s 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.

Journal Keywords: Density of states; Electronic structure

Subject Areas: Materials, Physics


Instruments: I09-Surface and Interface Structural Analysis

Added On: 11/10/2021 13:23

Discipline Tags:

Materials Science Metallurgy Perovskites Physics Hard condensed matter - electronic properties Hard condensed matter - structures

Technical Tags:

Spectroscopy X-ray Photoelectron Spectroscopy (XPS) Hard X-ray Photoelectron Spectroscopy (HAXPES)