A theoretical study of band-gap and electrical resistivity of FeS₂ (pyrite) at high pressure

Abstract

The pressure dependence of electrical resistivity of FeS₂ (pyrite) has been studied with the help of a simple analytical relation. The calculated results are found in reasonable agreement with the experimental measurements. The computed results are then utilized for the evaluation of pressure dependence of band-gap of FeS₂ (pyrite). The obtained results are found to be close to the experimental data. We have also estimated the expected pressure 109.50 GPa for metallization of FeS₂ (pyrite), which compares well with the estimated pressure 80(±8) GPa predicted through experiment. The pressure coefficient of logarithm of resistivity and band-gap energy has also been evaluated. Our results are near to the values obtained through the experiment.

Keywords:

• electrical resistivity
• high pressure
• band-gap energy

Acknowledgements

The authors are thankful to Prof K.K. Saraf, Head of the Physics Department.