Electronic Structure and Optical Properties of Ce1-xLaxPtIn (0<x<1) Compounds by SPR-KKR-CPA and FPLO-CPA Methods
A. Jezierskia and A. Szytuła b
aInstitute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań, Poland
bM. Smoluchowski Institute of Physics, Jagiellonian University, W.S. Reymonta 4, 30-059 Kraków, Poland
Received: May 20, 2015; In final form: November 23, 2015
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The electronic structure of Ce1-xLaxPtIn is studied by means of ab initio full-potential local orbital basis (coherent potential approximation) (FPLO-CPA) and spin polarized relativistic Korringa-Kohn-Rostoker (SPR-KKR-CPA) methods within the densities functional methodologies. In both methods, we have observed decrease of the density of states at the Fermi level versus of La concentration. The theoretical photoemission spectra of LaPtIn and CePtIn are compared with the experimental data and the agreement is good. We have also reported the optical properties of LaPtIn and CePtIn compounds obtained in GGA and GGA+U approximation.

DOI: 10.12693/APhysPolA.129.109
PACS numbers: 71.15.Ap, 71.15.Mb, 71.20.Eh, 71.23.-k