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Title: Investigation of Transport Properties of Some Superconductor Nickel-Based Antiperovskite XNNi{sub 3} (X = Mg, Al, Cu, Zn, Ga, Ag, Cd, In, Sn, Sb, Pt and Pb)

Abstract

We report, in this work, a theoretical study of electronic and transport (thermoelectric) properties of some superconductor nickel-based antiperovskite XNNi{sub 3} (X = Mg, Al, Cu, Zn, Ga, Ag, Cd, In, Sn, Sb, Pt and Pb) using first-principles calculations with the full-potential linearized augmented plane wave (FPLAPW) method based on the density functional theory (DFT) as implemented in the WIEN2k package. Electronic properties are calculated and show that the studied materials are of metallic type which is in good agreement with experimental data. The Seebeck coefficient, thermal conductivity, electrical conductivity and figure of merit were reported. The results obtained show that the zinc (Zn) and silver (Ag) materials are characterized by a high value of the figure of merit at room temperature (300 K) which is respectively 0.86 and 1.02 in a p-type region. In the case of the transition metals, the maximum values of S increase in going from the Pt atom to the Zn atom and then decrease for the Cd atom. Furthermore, the Wiedemann–Franz law which states that the ratio of thermal to electrical conductivity for metals is constant is well verified in this work. The electric conductivity values are almost invariant with the temperature except formore » the case of MgNNi{sub 3} and AgNNi{sub 3} compounds in which it increases with T slightly. So, the superconducting materials based on silver and zinc are the best for the thermoelectric applications at room temperature due to the very important value of the factor of merit and the Seebeck coefficient obtained.« less

Authors:
; ;  [1];  [2];  [3];  [1]
  1. Abdelhamid Ibn Badis University, Laboratory of Technology and Solids Properties (Algeria)
  2. Abdelhamid Ibn Badis University (Algeria)
  3. Université de Mascara, Laboratoire de Physique Quantique et de Modélisation Mathématique (Algeria)
Publication Date:
OSTI Identifier:
22773637
Resource Type:
Journal Article
Journal Name:
Journal of Superconductivity and Novel Magnetism
Additional Journal Information:
Journal Volume: 31; Journal Issue: 11; Other Information: Copyright (c) 2018 Springer Science+Business Media, LLC, part of Springer Nature; http://www.springer-ny.com; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1557-1939
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CADMIUM; DENSITY FUNCTIONAL METHOD; ELECTRIC CONDUCTIVITY; EXPERIMENTAL DATA; NICKEL BASE ALLOYS; PERFORMANCE; PLATINUM; SILVER; SUPERCONDUCTORS; TEMPERATURE RANGE 0273-0400 K; THERMAL CONDUCTIVITY; THERMOELECTRIC PROPERTIES; W CODES; ZINC

Citation Formats

Benmalem, Y., Abbad, A., Benstaali, W., E-mail: ben-wissam@yahoo.fr, Bentounes, H. A., Seddik, T., and Lantri, T. Investigation of Transport Properties of Some Superconductor Nickel-Based Antiperovskite XNNi{sub 3} (X = Mg, Al, Cu, Zn, Ga, Ag, Cd, In, Sn, Sb, Pt and Pb). United States: N. p., 2018. Web. doi:10.1007/S10948-018-4647-2.
Benmalem, Y., Abbad, A., Benstaali, W., E-mail: ben-wissam@yahoo.fr, Bentounes, H. A., Seddik, T., & Lantri, T. Investigation of Transport Properties of Some Superconductor Nickel-Based Antiperovskite XNNi{sub 3} (X = Mg, Al, Cu, Zn, Ga, Ag, Cd, In, Sn, Sb, Pt and Pb). United States. doi:10.1007/S10948-018-4647-2.
Benmalem, Y., Abbad, A., Benstaali, W., E-mail: ben-wissam@yahoo.fr, Bentounes, H. A., Seddik, T., and Lantri, T. Thu . "Investigation of Transport Properties of Some Superconductor Nickel-Based Antiperovskite XNNi{sub 3} (X = Mg, Al, Cu, Zn, Ga, Ag, Cd, In, Sn, Sb, Pt and Pb)". United States. doi:10.1007/S10948-018-4647-2.
@article{osti_22773637,
title = {Investigation of Transport Properties of Some Superconductor Nickel-Based Antiperovskite XNNi{sub 3} (X = Mg, Al, Cu, Zn, Ga, Ag, Cd, In, Sn, Sb, Pt and Pb)},
author = {Benmalem, Y. and Abbad, A. and Benstaali, W., E-mail: ben-wissam@yahoo.fr and Bentounes, H. A. and Seddik, T. and Lantri, T.},
abstractNote = {We report, in this work, a theoretical study of electronic and transport (thermoelectric) properties of some superconductor nickel-based antiperovskite XNNi{sub 3} (X = Mg, Al, Cu, Zn, Ga, Ag, Cd, In, Sn, Sb, Pt and Pb) using first-principles calculations with the full-potential linearized augmented plane wave (FPLAPW) method based on the density functional theory (DFT) as implemented in the WIEN2k package. Electronic properties are calculated and show that the studied materials are of metallic type which is in good agreement with experimental data. The Seebeck coefficient, thermal conductivity, electrical conductivity and figure of merit were reported. The results obtained show that the zinc (Zn) and silver (Ag) materials are characterized by a high value of the figure of merit at room temperature (300 K) which is respectively 0.86 and 1.02 in a p-type region. In the case of the transition metals, the maximum values of S increase in going from the Pt atom to the Zn atom and then decrease for the Cd atom. Furthermore, the Wiedemann–Franz law which states that the ratio of thermal to electrical conductivity for metals is constant is well verified in this work. The electric conductivity values are almost invariant with the temperature except for the case of MgNNi{sub 3} and AgNNi{sub 3} compounds in which it increases with T slightly. So, the superconducting materials based on silver and zinc are the best for the thermoelectric applications at room temperature due to the very important value of the factor of merit and the Seebeck coefficient obtained.},
doi = {10.1007/S10948-018-4647-2},
journal = {Journal of Superconductivity and Novel Magnetism},
issn = {1557-1939},
number = 11,
volume = 31,
place = {United States},
year = {2018},
month = {11}
}