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Journal of Structural Engineering and Management Original Research

Investigation of the Thermoelectric, Electronic Band Profile, and Structural Properties of Skutterudites Based on Cobalt and Antimony

  1. Poorva Nayak Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior, Madhya Pradesh, India
  2. Deepika Jha Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior, Madhya Pradesh, India
  3. Bharti Gurunani Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior, Madhya Pradesh, India
  4. Sakshi Gautam Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior, Madhya Pradesh, India
  5. Shruti Sharma Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior, Madhya Pradesh, India
  6. Vishal Shivhare Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior, Madhya Pradesh, India
  7. Pankaj Srivastav Department of Physics, Indian Institute of Information Technologies and Management, Gwalior, Madhya Pradesh, India
  8. Dinesh C. Gupta Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior, Madhya Pradesh, India

Abstract

We investigated ThCo4Sb12, an actinium-filled skutterudite, from the ground up for structural, electronic, and thermoelectric properties. A generalized gradient approximation and modified BeckeJohnson potentials were used to calculate the exchange-correlation potential. The compound is shown to have metallic properties in the electronic structure calculations. Actinium series element is used as a void filler in this study. The Seebeck coefficient and electrical conductivity can be calculated using Boltzmann's transport theory. According to the calculations, the Seebeck coefficient is high and the conductivity is low. Future research will concentrate on increasing electrical conductivity while decreasing thermal conductivity through the proper filling. Because sustainable energy technologies have grown in popularity in recent years, thermoelectric materials can play an important role in improving the efficiency of such technologies, such as waste heat recovery systems.

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