Abstract
We have performed the first principles calculation to study the elastic and optical properties of filled skutterudite EuFe4P12 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.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
B C Sales, K A Gschneidner, Jr, J C G Bunzli and V K Pecharsky Handbook on the Physics and Chemistry of Rare Earths (Amsterdam: Elsevier) (2003)
B C Sales, D Mandrus, B C Chakoumakos, V Keppens and J R Thompson Phys. Rev. B56 15081 (1997)
M B Maple et al. J. Phys. Soc. Jpn. 71 23 (2002)
E D Bauer, N A Frederick, P C Ho, V S Zapf and M B Maple Phys. Rev. B65 100506 (2002)
M E Danebrock, C B H Evers and W Jeitschko J. Phys. Chem. Solids 57 381 (1996)
G P Meisner, M S Torikachvili, K N Yang, M B Maple and R P Guertin J. Appl. Phys. 57 3037 (1985)
N Takeda and M Ishikawa Physica B259-261 92 (1999)
C Sekine, T Uchiumi, I Shirotani and T Yagi Phys. Rev. Lett. 79 3218 (1997)
M Hachemaoui, R Khenata, A Bouhemadou, A H Reshak, D Rached and F Semari Current Opinion Solid State Mater. Sci. 13 105 (2009).
M Hachemaoui et al. Solid State Commun. 150 1869 (2010)
S Benalia, M Ameri, D Rached, R Khenata, M Rabah and A Bouhemadou Comput. Mater. Sci. 43 1022 (2008)
S Benalia, M Hachemaoui, D Rached, R Khenata, N Bettahar and M Benyahia J. Phys. Chem. Solids 70 622 (2009)
M Ameri et al. Mater. Sci. Semicond. Processing 16 1508 (2013)
R Khenata et al. Phys. Rev. B75 195131(2007)
H Rosner et al. Structural, magnetic, electronic properties of the filled skutterudite EuFe 4 As 12 (APS March Meeting) abstract #S1 p 220 (2012)
A Shankar and R K Thapa Physica B427 31 (2013).
B I Sharma, J Maibam, R S Paul, R K Thapa and R K Brojen Singh Indian J. Phys. 84 567 (2010)
R K Thapa, Sandeep, M P Ghimire and Lalmuanpuia Indian J. Phys. 85 727 (2011)
P Blaha, K Schwarz, G H K Madsen, D Kvasnicka and J Luitz An Augmented Plane wave + Local orbital program for calculating crystal properties (Techn. Universitat, Wien, Austria) (2008)
D P Rai et al. Indian J. Phys. 84 717 (2010)
J Wang and S Yip Phys. Rev. Lett. 71 4182 (1993)
S F Pugh Philos. Mag. 45 823 (1954)
V V Bannikov, I R Shein and A L Ivanovskii Phys. Status Solidi Rapid Res. Lett. 3 89 (2007)
A Rukmangad, M Synyas and S P Sanyal Indian J. Phys. 84 1183 (2010)
V Tvergaard and J W Hutchinson J. Am. Ceram. Soc. 71 157 (1988)
M R Panigrahi, T Badapanda and S Panigrahi Indian J. Phys. 83 567 (2009)
A Shankar, D P Rai, N Sandeep and R K Thapa J. Alloys Compds. 578:559 (2013)
D R Penn Phys. Rev. 128 2093 (1962)
Acknowledgments
AS acknowledges fellowship and RKT a research Grant from UGC (New Delhi).
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Shankar, A., Rai, D.P., Sandeep et al. Investigation of elastic and optical properties of EuFe4P12 by first principles calculation. Indian J Phys 89, 797–801 (2015). https://doi.org/10.1007/s12648-015-0652-5
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s12648-015-0652-5