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Research & Reviews: Journal of Material Sciences | ISSN: 2321-6212 | Volume 6
Theoretical, Materials and Condensed Matter Physics
5
th
International Conference on
November 26-28, 2018 | Los Angeles, USA
Electronic, mechanical and thermoelectric properties of Gd-filled ternary skutterudites
U P Verma, Shashank Nautiyal
and
Priya Yadav
Jiwaji University, India
R
are earth filled ternary skutterudite compounds have potential applications to produce clean energy, long-term stability
and low cost as compared to other thermoelectric materials. For good efficiency, materials should possess high electrical
conductivity, low thermal conductivity, and high Seebeck coefficient. In this communication, the electronic, mechanical and
thermoelectric properties of Gd-filled skutterudites GdFe
4
P
12
, GdRu
4
P
12
and GdOs
4
P
12
have been reported. The study is based
on full potential linearized augmented plane wave method in the framework of density functional theory. The exchange-
correlation potential are treated using the generalized gradient approximation. The electronic behavior of this material is semi-
metallic. Investigation of mechanical properties shows that reported materials are brittle and anisotropic. GdOs
4
P
12
is stiffest
among GdT
4
P
12
(T=Fe, Ru, Os). The Boltzmann transport theory with constant relaxation time has been used, as implemented
in BoltzTraP code, to predict the thermoelectric properties of all the materials. The magnitude of Seebeck coefficient in spin
down channel is more than that in spin up the channel. The maximum values of the figure of merit obtained in spin up channel
are 0.44, 0.89 and 0.86 whereas in spin down channel the figure of merit are found to be 0.98, 0.90 and 0.96, respectively for
GdFe4P
12
, GdRu
4
P
12
, and GdOs
4
P
12
. On the basis of the values of ZT, GdRu
4
P
12
is efficient material in spin up configuration
and GdFe
4
P
12
in spin down configuration. Study of the electronic charge density shows that in the rare earth filled ternary
skutterudite compounds have P-P covalent and Gd-B and Fe-B ionic bonding.
Biography
U P Verma has completed His PhD at the age of 25 from Meerut University, Meerut. He is the recipient of Alexander von Humboldt Fellowship at Justus Liebig
University, Giessen and Goethe University Frankfurt. He has served as Regional Director of MP Bhoj Open University, Director Institute of Distance Education and
as Head, School of Studies in Physics of Jiwaji University, Gwalior. He has published more than 100 research papers in journals of repute and supervised to 18
students for their PhD.
upv.udai@gmail.comU P Verma et al., Res. Rev. J Mat. Sci. 2018, Volume 6
DOI: 10.4172/2321-6212-C10-041