Electronic Structure and Optical Properties of Ce_{1-x}La_xPtIn (0

• Authors: A. Jezierski , A. Szytuła
• Languages of publication: EN

Abstracts

EN

The electronic structure of Ce_{1-x}La_{x}PtIn 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.

Keywords

EN

71.15.Ap; 71.15.Mb; 71.20.Eh; 71.23.-k

Discipline

• 71.15.Ap: Basis sets (LCAO, plane-wave, APW, etc.) and related methodology (scattering methods, ASA, linearized methods, etc.)
• 71.20.Eh: Rare earth metals and alloys
• 71.15.Mb: Density functional theory, local density approximation, gradient and other corrections
• 71.23.-k: Electronic structure of disordered solids

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2016
• Volume: 129
• Issue: 1
• Pages: 109-112

Dates

published

2016-01

received

2015-05-20

(unknown)

2015-11-23

Contributors

author

A. Jezierski

• Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań, Poland

author

A. Szytuła

• M. Smoluchowski Institute of Physics, Jagiellonian University, W.S. Reymonta 4, 30-059 Kraków, Poland

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Identifiers

DOI

10.12693/APhysPolA.129.109