NDLI: Thermoelectric properties of metallic antiperovskites AXD$_{3}$ (A=Ge, Sn, Pb, Al, Zn, Ga; X=N, C; D=Ca, Fe, Co)

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Thermoelectric properties of metallic antiperovskites AXD$_{3}$ (A=Ge, Sn, Pb, Al, Zn, Ga; X=N, C; D=Ca, Fe, Co)

Content Provider	SpringerLink
Author	Bilal, Muhammad Ahmad, Iftikhar Asadabadi, Saeid Jalali Ahmad, Rashid Maqbool, Muhammad
Copyright Year	2015
Abstract	In this paper we communicate the thermoelectric properties of carbon and nitrogen based metallic antiperovskites ANCa$_{3}$ (A=Ge, Sn, Pb), BCFe$_{3}$ (B=Al, Zn, Ga) and SnCD$_{3}$ (D=Co and Fe) using the ab-initio calculations to explore efficient metallic thermoelectric materials. The consistency of the calculated results of SnCCo$_{3}$ and SnCFe$_{3}$ with the experimental results confirms the reliability of our theoretical calculations for the other investigated metallic antiperovskites. The results indicate that the thermopower of these materials can be enhanced by changing the chemical potential. The dimensionless figure of merit for the three nitrides approaches 0.96 at room temperature, which proves the usefulness of these materials in thermoelectric generators. Furthermore, the thermal conductivity is minimum at room temperature for chemical potential values between -0.25 μ(eV) and 0.25 μ(eV), and provides the maximum values of dimensionless figure of merit in this range. The striking feature of these studies is identifying a metallic compound, SnNCa$_{3}$, with the highest value of Seebeck coefficient at room temperature out of all metals. The results anticipate that these materials could be efficient in thermoelectric generators; however, this needs experimental verification.
Starting Page	466
Ending Page	480
Page Count	15
File Format	PDF
ISSN	17388090
Journal	Electronic Materials Letters
Volume Number	11
Issue Number	3
e-ISSN	20936788
Language	English
Publisher	The Korean Institute of Metals and Materials
Publisher Date	2015-05-10
Publisher Place	Seoul
Access Restriction	Subscribed
Subject Keyword	thermoelectric properties metallic antiperovskites electrical conductivity ab-initio calculations spin orbit coupling Optical and Electronic Materials Condensed Matter Physics Nanotechnology and Microengineering Characterization and Evaluation of Materials Nanotechnology
Content Type	Text
Resource Type	Article
Subject	Electronic, Optical and Magnetic Materials

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