Sn replacement influence on magnetic, electronic, thermodynamic, thermoelectric and transport properties in shandite com
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THE EUROPEAN PHYSICAL JOURNAL B
Regular Article
Sn replacement influence on magnetic, electronic, thermodynamic, thermoelectric and transport properties in shandite compounds of Co3In2−xSnxS2 Ali Saadi 1 , Lhaj el Hachemi Omari 2,a , and Abdelkader Boudali 3 1 2
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LB-GME, High Normal School, Hassan II University of Casablanca, BP 5366, Mˆ aarif, Casablanca, Morocco LPMMAT, Faculty of Sciences – Ain Chock, Hassan II University of Casablanca, BP 5366, Mˆ aarif, Casablanca, Morocco Laboratory of Physico-chemical Studies, University of Saida, Saida, Algeria Received 16 May 2020 / Received in final form 8 August 2020 / Accepted 17 August 2020 Published online 16 September 2020 c EDP Sciences / Societ`
a Italiana di Fisica / Springer-Verlag GmbH Germany, part of Springer Nature, 2020 Abstract. In this paper, we have investigated some physical properties of Co3 In2−x Snx S2 (x = 0, 1, and 2) compounds. The doping in Co3 In2 S2 , through chemical substitution of indium by tin as a low-cost neighboring element, affects their structural, electronic, magnetic, thermodynamic, and thermoelectric properties. The density functional theory (DFT) calculations show that indium substitution leads to a transition from weak-ferromagnetic metal (x = 0), to nonmagnetic semiconductor with low band gap energy at x = 1, and to a ferromagnetic half-metal at x = 2. The thermal properties, obtained by using the Gibbs code, were evaluated with temperature at various pressures from 0 to 20 GPa. The results demonstrated that chemical substitution in the studied materials affects their physical properties leading to an interest candidate for thermoelectric uses at ambient or at low temperature.
1 Introduction The shandite compounds with the general formula T3 M2 X2 [1,2] (where T = Co or Ni, M = In or Sn, and X = S, Si, or Se) have been studied extensively in recent decades [3,4]. These compounds have attracted the intention of many researchers for their promising properties, such as a half metallicity in which, at the Fermi level (EF ), the spin-polarized band structure exhibits a half-metallic gap in one spin direction, while the other spin channel is metallic [5]. The half-metallicity as a key for the applications in spintronics [6–8], the high thermoelectric properties [9–11], the magnetocaloric effect for the application in the magnetic refrigeration [12,13], and the magnetic properties (including superconductivity) [14] of some shandite materials are recently investigated. The thermoelectric compounds are able to turn excess energy into electricity. Therefore, they contribute to reducing CO2 emissions. In commercial thermoelectric apparatus at room temperature, the Bi2 Te3 alloys (with ZT ≈ 1 at 300 K) are actually the most used materials [15]. The relatively low efficacy and the high cost of the scarce element (tellurium) limit the larger application of this technology, and that led to search for developing novel materials. These a
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researches generate a wide range of promising materials, but much of the re
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