Investigation of elastic and optical properties of EuFe sub(4)P sub(12) by first principles calculation

Investigation of elastic and optical properties of EuFe sub(4)P sub(12) by first principles calculation

We have performed the first principles calculation to study the elastic and optical properties of filled skutterudite EuFe sub(4)P sub(12) using full-potential linearized augmented plane wave based on density functional theory. The second order elastic constants have been calculated and other relate...

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Veröffentlicht in:Indian journal of physics 2015-08, Vol.89 (8), p.797-801
Hauptverfasser: Shankar, A, Rai, D P, Sandeep, Sandeep, Maibam, J, Thapa, R K
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Sprache:eng
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Debye temperature
Density functional theory
Elastic constants
Mathematical analysis
Optical properties
Photons
Plane waves
Reflectivity
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container_end_page 801
container_issue 8
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container_title Indian journal of physics
container_volume 89
creator Shankar, A
Rai, D P
Sandeep, Sandeep
Maibam, J
Thapa, R K
description We have performed the first principles calculation to study the elastic and optical properties of filled skutterudite EuFe sub(4)P sub(12) using full-potential linearized augmented plane wave based on density functional theory. The second order elastic constants have been calculated and other related quantities such as the Poisson's ratio, Young's modulus, Kleinman parameter and Debye temperature have been determined. Dielectric function, optical reflectivity, refractive index, electron energy loss and optical conductivity have been calculated for photon energy radiation.
doi_str_mv 10.1007/s12648-015-0652-5
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subjects Debye temperature
Density functional theory
Elastic constants
Mathematical analysis
Optical properties
Photons
Plane waves
Reflectivity
title Investigation of elastic and optical properties of EuFe sub(4)P sub(12) by first principles calculation
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