| Autor: |
Kansara, Shivam, Gupta, Sanjeev K., Sonvane, Yogesh, Kumar, Ashok |
| Zdroj: |
Physical Chemistry Chemical Physics (PCCP); 11/28/2018, Vol. 20 Issue 44, p28114-28123, 10p |
| Abstrakt: |
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. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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