Physical properties of thorium under pressure

Abstract

We report a theoretical calculation of the band structure, electrical resistivity, and superconductivity of fcc thorium under pressure. The effect of pressure on the band structure is obtained by means of the linear muffin‐tin orbital (LMTO) method. The superconducting transition temperature (Tc) is calculated using McMillan’s as well as Allen‐Dynes modified formulas. The calculated values of Tc initially decreases with the increase in pressure up to 154 kbar and then begins to increase. The sudden increase in the value of Tc around 181 kbar is attributed to the change in Fermi surface topology. The theoretically calculated values of resistivity initially decreases with increase in pressure up to 154 kbar and then begins to increase in accordance with the experimental results.