BCC ZIRCONIUM BAND STRUCTURE AND SUPERCONDUCTIVITY STUDIED UTILIZING THE LINEAR MUFFIN-TIN ORBITAL APPROACH

Author (s) : R.Mani, B.Kumar , M.Vijayashree, K.S.Balaji

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Abstract :
The band structure and superconductivity of zirconium in the BCC phase under pressure were theoretically calculated, according to the authors. The self-consistent linear muffin-tin orbital approach is used to determine how pressure affects band structure. Using McMillan's formula, the superconducting transition temperature Tc is determined. The band-structure data are used to determine the parameters needed to calculate Tc. Tc is calculated to be 12.07 K at 35.2 GPa. The theoretically calculated value of Tc and the most recent experimental finding are in perfect accord.

Keywords : Muffin-tin and McMillan's formula, Transition temperature.

Conference Date : 30/08/2019

Pages : 256

Paper ID : 19247