Covalent versus localized nature of 4 f electrons in ceria: Resonant angle-resolved photoemission spectroscopy and density functional theory

We have conducted resonant angle-resolved photoemission spectroscopy of well-defined

{CeO}_{2}

(111) and

c - {Ce}_{2} O_{3}

(111) model surfaces, revealing distinct

f

contributions in the valence band of the two compounds. In conjunction with density functional theory calculations, we show that the

f

contribution in

{CeO}_{2}

is of a covalent nature, arising from hybridization with the

O 2 p

bands. In contrast,

c - {Ce}_{2} O_{3}

exhibits an almost nondispersive

f

state at 1.3 eV, which is indicative of almost negligible c-f hybridization.

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Theoretical study the electronic, elastic properties and thermodynamics properties of ternary phosphide SrPt6P2