Abstract

The authors report a theoretical calculation of the band structure and superconductivity of zirconium in the BCC phase under pressure. The effect of pressure on the band structure is obtained by means of the self-consistent linear muffin-tin orbital method. The superconducting transition temperature Tc is calculated using McMillan's formula. The parameters necessary to calculate Tc are taken from the band-structure results. The calculated value of Tc at 35.2 GPa is 12.07 K. The theoretically calculated value of Tc is in excellent agreement with the recent experimental observation.

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