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Issue 44, 2018
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Free-standing Pt and Pd nanowires: strain-modulated stability and magnetic and thermoelectric properties

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Abstract

We studied 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 were found to be dynamically stable for both strain-free and strained situations. Their cohesive energy and magnetic moment showed decrease and increase, respectively, with an increase in tensile Lagrangian strain (2% to 10%) in the (001) plane. Furthermore, we analyzed the thermodynamic properties using the quasi-harmonic approximation (QHA), heat capacity and internal energy of both NWs originating at 0 K, where their internal energy (E) remained high. For the NWs with the (100) and (010) planes, magnetism exist in the strain-free case, whereas it decreases rapidly on increasing the value of strain. Our results predict the excellent stability, colossal magnetism, and thermoelectric properties of the studied NWs; therefore, these NWs can be used as potential thermoelectric materials for device applications.

Graphical abstract: Free-standing Pt and Pd nanowires: strain-modulated stability and magnetic and thermoelectric properties

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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., 2018,20, 28114-28123
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    Free-standing Pt and Pd nanowires: strain-modulated stability and magnetic and thermoelectric properties

    S. Kansara, S. K. Gupta, Y. Sonvane and A. Kumar, Phys. Chem. Chem. Phys., 2018, 20, 28114
    DOI: 10.1039/C8CP04731F

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