Electron-phonon interaction, superconductivity and thermal conductivity of palladium carbide using ab initio calculation

Authors

Nikita R. Rathod, Bhavnagar University
Sanjeev K. Gupta, Bhavnagar University
Satyam M. Shinde, Pandit Deendayal Petroleum University
Prafulla K. Jha, Bhavnagar University

Document Type

Article

Publication Date

4-2013

Department

Department of Physics

Abstract

The structural, electronic, elastic and lattice dynamic along with the allied properties like superconductivity, thermal conductivity and electrical resistivity of palladium carbide (PdC) in two crystallographic phases are studied using the first principles ab initio calculations. The calculated mechanical and lattice dynamical properties shows mechanical and dynamical stability of PdC in rock salt phase. The superconducting transition temperature of about 15 K for RS-PdC suggests its being a superconductivity material. The possible use of PdC in thermoelectric devices using thermal conductivity and resistivity is also discussed. The present study suggests that the PdC can be a potential candidate for the thermoelectric application at higher temperatures.

Publisher's Statement

Corrigendum: https://doi.org/10.1016/j.commatsci.2013.02.019

Publication Title

Computational Materials Science

Recommended Citation

Rathod, N., Gupta, S., Shinde, S., & Jha, P. (2013). Electron-phonon interaction, superconductivity and thermal conductivity of palladium carbide using ab initio calculation. Computational Materials Science, 70, 196-200. http://doi.org/10.1016/j.commatsci.2012.12.032
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/6137