Abstract:The electronic structure, lattice dynamics, and electron–phonon coupling of pure, boron and nitrogen-doped diamond carbon were investigated using first-principle calculations within the generalized-gradient and virtual crystal approximations. To examine the influence of the impurity content and pressure on the superconductivity of these systems, the electron–phonon coupling constant (λ) and the critical temperature (Tc) were calculated as a function of concentrations from 0 to 15% and pressures from 0 to 90 GP… Show more
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