Record Details

Title:
Surface, final state, and spin effects in the valence-band photoemission spectra of $ LaCoO_{3} (001)$
Affiliation(s):
EuXFEL staff, EuXFEL guest, Other
Author group:
Sample Environment
Instrument SCS
Theory
Topic:
Scientific area:
Abstract:
The electronic structure of a $LaCoO_{3}(001)$ perovskite is analyzed using simulated and measured angle-resolved valence-band photoemission spectroscopy data with emphasis on the effects of the surface truncation, the final state effects, and the spin degeneracy removal. Supercell simulations reveal instability towards the formation of nonuniform spin polarization in the Co-containing layers under tensile stress. Lattice expansion reduces antiferrodistortive octahedron tilting and tips the ratio between the crystal field parameter and the exchange energy in favor of local magnetization. While the magnitude of the local moment scales with lateral strain, the Curie temperature saturates for straight Co-O-Co chains below 75 K. The comparison of simulated photoemission spectra with experiments suggests $Co-O_{2}$ to be the most stable surface stoichiometry, as proposed from transport and catalytic studies.
Imprint:
American Physical Society, 2017
Journal Information:
Physical Review B, 96, 205144 (2017)
Related external records:
Language(s):
English


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 Record created 2018-01-22, last modified 2019-01-30

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