Authors: R Falconi P de la Mora F Morales R Escamilla C O Camacho M Acosta R Escudero
Publish Date: 2015/01/13
Volume: 179, Issue: 3-4, Pages: 158-165
Abstract
In this work highpressure electrical resistivity measurements and electronic structure analysis on the intermetallic Mo 2BC system are presented Electrical resistivity measurements up to about 5 GPa using a diamond anvil cell on Mo 2BC revealed that T mathrmc decreases in a nonmonotonic way Using Linearized Augmented Plane Wave method based on Density Functional Theory we investigate the changes in the electronic structure of this compound as a function of pressure The states at the Fermi level mainly come from the d orbitals of molybdenum atoms As the pressure increases the band width is enhanced and the total density of states at the Fermi level decreases The Fermi surface for this compound possesses a twodimensional character which prevails under an applied pressure of about 10 GPa The results are compared with the chemical pressure effects on T mathrmc induced by the gradual and nonsimultaneous elimination of B and C in the compoundR F thanks PIFIUJAT for support R E acknowledges DGAPAUNAM Project No IN106014 CONACYT Project 129293 Ciencia Básica BISNANO and project PICCO 117 by The Institute of Sciences of Distrito Federal Ciudad de México P de la M thanks PAPIIT IN 113913 project
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