Superconductivity of WC in the NaCl-Type Structure under Pressure

Abstract

Here we report the theoretical calculations of band structure and superconductivity of WC in the NaCl-type structure. The effect of pressure on the band structure is obtained using the linear muffin-tin orbital method. The superconducting transition temperature is calculated using McMillan's formula. The value ofT_cat ambient conditions is 5.98 K which increases on compression. The increase inT_cvalues with pressure may be due to continuous transfer of s electrons from the carbon site to d states of the tungsten site. The calculated value ofT_cat ambient pressure and the positive pressure coefficient ofT_care in agreement with other transition metal carbides and nitrides.