Abstract

The authors report on the theoretical investigation of the structural properties and superconductivity of VN under high pressure. The effect of pressure on the band structure is obtained by means of the self-consistent linear muffin-tin orbital (LMTO) method. From total energy studies they predict a structural phase transition in VN from NaCl- (B1-) type to CsCl (B2-) type at about 65.2 GPa. The superconducting transition temperature (Tc) is calculated using McMillan's formula. The calculated value for Tc at ambient pressure is 9.322 K, which is in agreement with the experimental value of 8.5 K. Values for Tc increase with increasing pressure, with a pressure coefficient of 27 mK kbar-1, which is in good agreement with the experimental value of 12 mK kbar-1.

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