Electronic structure and magnetic properties of Ce{sub 5}CuPb{sub 3}

• Published in: Journal of solid state chemistry Vol. 180; no. 10
• Main Authors: Tran, V.H., Gamza, M., Slebarski, A., Jarmulska, J., Miiller, W.
• Format: Journal Article
• Language: English
• Published: United States 15.10.2007
• Subjects: CERIUM ALLOYS; COPPER ALLOYS; ELECTRONIC SPECIFIC HEAT; ELECTRONIC STRUCTURE; FERMI LEVEL; GROUND STATES; HYBRIDIZATION; INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; INTERMETALLIC COMPOUNDS; LEAD ALLOYS; MAGNETIC PROPERTIES; MAGNETS; MILLI EV RANGE; PHASE TRANSFORMATIONS; SPECTRA; TEMPERATURE RANGE 0000-0013 K; TEMPERATURE RANGE 0013-0065 K; X-RAY PHOTOELECTRON SPECTROSCOPY
• ISSN: 0022-4596; 1095-726X
• DOI: 10.1016/j.jssc.2007.07.019

We report on the magnetic and electronic transport properties and as well band electronic structure of the Ce{sub 5}CuPb{sub 3} intermetallic compound, crystallizing in the hexagonal Hf{sub 5}CuSn{sub 3}-type structure. The magnetic and XPS data indicate localized character of the 4f-electrons. Ce{sub 5}CuPb{sub 3} is shown to be a magnet with double transitions below T{sub C1}=46K and T{sub C2}=5K. Despite being magnetic the compound is found to have a strongly enhanced electronic specific heat (about 50mJ/molCeK{sup 2}). The electronic band structure calculations based on TB-LMTO and FP-LAPW confirm the magnetic ground state. From the theoretical data we would expect that the Ce1 and Ce2 atoms located at the 4d and 6g, respectively, give distinct contributions to the density of states at the Fermi level. -- Comparison of the experimental valence band corrected by the background (thin line with crosses) with the theoretical spectra. These latter were convoluated by Lorentzians with a full-width-half-maximum (FWHM) of 0.4 eV (dashed line) or by the pseudoVoigt profile function with a FWHM of 0.8 eV and 0.5 eV for the Lorentzian and Gaussian components, respectively (solid line)