Band structure calculations of Mo$_{2}$BC under pressure

POSTER

Abstract

Mo$_{2}$B is a superconductor with a Tc of about 5.8 K and a body centered tetragonal cristalline structure. When carbon is added to the structure it is formed the intermetallic Mo$_{2}$BC compound, which is a superconductor with a Tc of about 7 K and has a crystalline face centered orthorhombic structure. In this work we make ab initio calculations of the electronics bands for Mo$_{2}$BC at several pressures up to 5 GPa in order to explain why chemical pressure, generated by decreasing the carbon concentration, decreases T$_{C}$ in a non linear rate. The density of state at the Fermi level is reduced in a non monotonic way suggesting some correlation. We complement the study with high pressure electrical resistivity measurements up to 4.8 GPa which reveal a decreasing of Tc at the rate dT$_{C}$/dP = - 0.03 K/GPa.

Authors

  • R. Falconi

    UJAT

  • F. Alvarez

    IMP

  • R. Escamilla

    UNAM, Instituto de Investigaciones en Materiales-UNAM

  • Roberto Escudero

    UNAM, Instituto de Investigaciones en Materiales-UNAM, IIM-UNAM