Abstract
AbstractA theoretical calculation of the band structure, electrical resistivity, and superconductivity of f.c.c. thorium under pressure is reported. 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‐Dyne's modified formulae. The parameters necessary to calculate Tc are taken from the band structure outputs. The calculated values of Tc initially decrease with the increase in pressure up to 154 × 108 Pa and then begin to increase. The sudden increase in the value of Tc around 181 × 108 Pa is attributed to the change in the Fermi surface topology. The theoretically calculated values of resistivity initially decrease with increase in pressure up to 154 × 108 Pa and then begin to increase in accordance with the experimental results. The change in slope around 181 × 108 Pa may be due to a change in Fermi surface topology. The calculated values of ϱ are in correct trend with the experimental values.
Published Version
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