Thermoelectric properties of rare-earth based RENi^sub 2^ (RE?=?Dy, Ho and Er) Laves phase compounds

The thermoelectric properties (TE) of rare-earth based RENi2 (RE = Dy, Ho and Er) Laves phase compounds, have been investigated using first-principle density functional theory. The generalized gradient approximation (GGA) and local spin density approximation (LSDA) with Hubbard parameter (U) have be...

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Bibliographic Details
Published in:Journal of magnetism and magnetic materials 2018-12, Vol.468, p.123
Main Authors: Pawar, Harsha, Aynyas, Mahendra, Sanyal, Sankar P
Format: Article
Language:English
Subjects:
Approximation
Conductivity
Current carriers
Density
Density functional theory
Dysprosium
Electrical resistivity
Electron spin
Electrons
First principles
Impact analysis
Lattice parameters
Laves phase
Mathematical analysis
Properties (attributes)
Rare earth elements
Seebeck effect
Studies
Thermoelectricity
Trace elements
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Summary:The thermoelectric properties (TE) of rare-earth based RENi2 (RE = Dy, Ho and Er) Laves phase compounds, have been investigated using first-principle density functional theory. The generalized gradient approximation (GGA) and local spin density approximation (LSDA) with Hubbard parameter (U) have been used for exchange and correlation effect. Calculated ground state properties such as lattice constants are in good agreement with pervious reported results. The electronic band structures display the metallic nature of these compounds. The high values of N(EF) are responsible for more metallic nature in spin down channel as compared to spin up channel. The electrical conductivity (σ/τ) decreases with increasing temperature. The negative value of Seebeck coefficient indicates that electrons play major role in spin up profiles but in spin down profiles both type of charge carriers are contribute for Seebeck effect.
ISSN:0304-8853
1873-4766