Coexistence of ferromagnetic-type order and spin-glass-like behavior in Ce5AgGe2

Skornia, Paweł; Deniszczyk, J.; Fijałkowski, Marcin; Ślebarski, A.

doi:10.1016/j.jallcom.2019.03.233

Cited by 5 publications

(1 citation statement)

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“…At the binding energy of about 17 eV and 19 eV, the calculated Ce 5p electronic states show SO-separated features, which are displaced in respect to the measured data by ~1 eV. The discrepancy can be attributed to Ce 5d-electron correlations, which usually shift the calculated Ce 5p states to lower binding energies [26,37,38]. The main numerical results of the performed PBEsol+U calculations are listed in Table 3.…”

Section: Calculated Electronic Structurementioning

confidence: 87%

Mixed Valence of Ce and Its Consequences on the Magnetic State of Ce9Ru4Ga5: Electronic Structure Studies

2020

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We report on X-ray photoelectron spectroscopy (XPS) and ab initio electronic structure investigations of a novel intermetallic material Ce 9 Ru 4 Ga 5 . The compound crystallizes with a tetragonal unit cell (space group I4 m m ) that contains three inequivalent Ce atoms sites. The Ce 3 d core level XPS spectra indicated an intermediate valence (IV) of selected Ce ions, in line with the previously reported thermodynamic and spectroscopic data. The ab initio calculations revealed that Ce1 ions located at 2 a Wyckoff positions possess stable trivalent configuration, whereas Ce2 ions that occupy 8 d site are intermediate valent. Moreover, for Ce3 ions, located at different 8 d position, a fractional valence was found. The results are discussed in terms of on-site and intersite hybridization effects.

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Section: Calculated Electronic Structurementioning

confidence: 87%