First principles study of electronic structure of CeNi4Cu

Pugaczowa‐Michalska, M.; Kowałczyk, A.

doi:10.1016/j.intermet.2006.01.058

Cited by 10 publications

(5 citation statements)

References 12 publications

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“…The DOS pictures can suggest a low hybridization of the 3d and 4f states. The electronic states of the Ce atom are more localized in CeCu 4 Al than in the earlier studied CeNi 4 Al, where the hybridization of the 3d states of Ni and 4f states of Ce was observed in the XPS experiments as well as proved by the ab initio studies [28]. For CeNi 4 Al the distance between the centers of gravity of the Ce 4f and Ni 3d bands was found to be about 0.514 eV.…”

Section: Resultsmentioning

confidence: 65%

“…In our previous studies of the CeNi 4 X (X = Al, Ga, Cu, Si) series we found an increase of the degree of hybridization of Ce 4f with Ni 3d bands for X = Cu compared to compounds including the non-transition elements (Al, Ga, Si). In CeNi 4 Cu the presence of the filled 3d shell of copper leads to the f electrons more hybridized with the 3d electrons of Ni [28,29]. It is, therefore, interesting to verify the predictions of the electronic structure calculations for CeCu 4 Al.…”

Section: Resultsmentioning

confidence: 88%

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Electronic and magnetic properties of heavy fermion CeCu₄Al

Kowałczyk¹,

Toliński²,

Reiffers³

et al. 2008

J. Phys.: Condens. Matter

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The studies of the magnetic susceptibility, specific heat, electrical resistivity, x-ray photoemission spectra (XPS) and the band structure calculations for CeCu 4 Al are reported. CeCu 4 Al is paramagnetic and follows the Curie-Weiss law with μ eff = 2.53 μ B /f.u. and θ p = −10 K. The experimental value of μ eff is close to the calculated one for a free Ce 3+ ion (2.54 μ B ), thus indicating the presence of well-localized magnetic moments carried by the stable Ce 3+ ions. Below the Fermi energy the total density of states contains mainly the d states of Cu atoms, which hybridize with the Ce f electronic states. The analysis of the Ce 3d and 4d XPS spectra indicates the localized character of the Ce f states. The determined electronic specific heat coefficient γ = 210 mJ K −2 mol −1 confirms the heavy fermion character of the CeCu 4 Al compounds.

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Section: Resultsmentioning

confidence: 65%

Section: Resultsmentioning

confidence: 88%

Electronic and magnetic properties of heavy fermion CeCu₄Al

Kowałczyk¹,

Toliński²,

Reiffers³

et al. 2008

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

show abstract

“…In CeNi 4 Si the degree of hybridization of Ce 4f-Ni 3d bands seems to be lower than that shown in CeNi 4 X with X = Al, Ga [15], as evidenced by a decrease in the distance between their centers of gravity from 0.514 eV for CeNi 4 Al (or 0.493 eV for CeNi 4 Ga) to 0.465 eV for CeNi 4 Si. However, the distance between Ce 4f and Ni 3d in CeNi 4 Si is larger than in CeNi 4 Cu (0.353 eV) [15].…”

Section: Resultsmentioning

confidence: 69%

“…4a-d. The total DOS is dominated by Ni 3d states in the energy region from −6.5 eV to 0 eV as in other related CeNi 4 X (X = B, Al, Ga, Cu) compounds [15]. Those states are mostly occupied.…”

Section: Resultsmentioning

confidence: 74%

“…However, the distance between Ce 4f and Ni 3d in CeNi 4 Si is larger than in CeNi 4 Cu (0.353 eV) [15]. In the frame of the examined crystal structure (CaCu 5 -type) in the cerium intermetallics it is expected that 4f bands of Ce less hybridise with 3d bands of Ni atoms in the presence of sp atoms occupied (3g) position than in the presence of transition metal in this positions.…”

Section: Resultsmentioning

confidence: 88%

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