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
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R. Falconi
UJAT
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F. Alvarez
IMP
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R. Escamilla
UNAM, Instituto de Investigaciones en Materiales-UNAM
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Roberto Escudero
UNAM, Instituto de Investigaciones en Materiales-UNAM, IIM-UNAM