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Free Standing Pt and Pd Nanowires: Strain-Modulated Stability, Magnetic and Thermoelectric Properties

Abstract

We study the Lagrangian strain induced colossal magnetism and thermoelectric performance of platinum (Pt) and palladium (Pd) nanowires (NWs) using first-principles density functional calculations. Pt and Pd NWs are found to be dynamically stable for both strain-free and strained situation. The cohesive energy and magnetic moment show decrease and increase, respectively, on increasing tensile Lagragian strain (2% to 10%) in (001) plane. Furthermore, we analyze the thermodynamic properties using quasi-harmonic approximation (QHA), the heat capacity and internal energy for both the NWs originate at 0 K and the internal energy (E) remain high. NWs with (100) and (010) plane, the magnetism exists at strain free case, while increasing strain, the values of magnetism decreases rapidly. Our results predict excellent stability, colossal magnetism, and thermoelectric properties have given NWs; therefore, these NWs can be used as a potential thermoelectric material for device applications.

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Publication details

The article was received on 25 Jul 2018, accepted on 10 Oct 2018 and first published on 10 Oct 2018


Article type: Paper
DOI: 10.1039/C8CP04731F
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    Free Standing Pt and Pd Nanowires: Strain-Modulated Stability, Magnetic and Thermoelectric Properties

    S. Kansara, S. K. Gupta, Y. Sonvane and A. Kumar, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C8CP04731F

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