First principle calculation of the electron and positron band structure in the perfect and defected 3C silicon carbide was performed within the linear muffin-tin orbital method in the atomic spheres approximation. For Si and C vacancy the insulator-metal transition was observed. Effect of the electron–positron interaction on the resulting positron distribution was studied. Theoretical electron and electron–positron momentum densities for Si and C monovacancies, obtained within various approximations to the electron–positron correlations, were considered in comparison with the relevant characteristics in the perfect 3C SiC.

Effect of Monovacancy on Electron and Positron Properties of 3C SiC. A.Rubaszek: Physica Status Solidi B, 2011, 248[1], 220–7