Electronic structure and magnetic properties of Ce5CuPb3Ce5CuPb3

We report on the magnetic and electronic transport properties and as well band electronic structure of the Ce5CuPb3Ce5CuPb3 intermetallic compound, crystallizing in the hexagonal Hf5CuSn3Hf5CuSn3-type structure. The magnetic and XPS data indicate localized character of the 4f  -electrons. Ce5CuPb3Ce5CuPb3 is shown to be a magnet with double transitions below TC1=46K and TC2=5K. Despite being magnetic the compound is found to have a strongly enhanced electronic specific heat (about 50mJ/molCeK2). 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).Figure optionsDownload as PowerPoint slide