title: Topological tuning in three-dimensional dirac semimetals.
abstract: We study with first-principles methods the interplay between bulk and surface Dirac fermions in three dimensional Dirac semimetals. By combining density functional theory with the coherent potential approximation, we reveal a topological phase transition in Na_{3}Bi_{1-x}Sb_{x} and Cd_{3}[As_{1-x}P_{x}]_{2} alloys, where the material goes from a Dirac semimetal to a trivial insulator upon changing Sb or P concentrations. Tuning the composition allows us to engineer the position of the bulk Dirac points in reciprocal space. Interestingly, the phase transition coincides with the reversal of the band ordering between the conduction and valence bands.
authors.affiliation: School of Physics and CRANN, Trinity College, Dublin 2, Ireland.
authors.forename: Awadhesh
authors.initials: A
authors.lastname: Narayan
authors.affiliation: Consiglio Nazionale delle Ricerche (CNR-SPIN), Via Vetoio, L'Aquila, Italy and Department of Physical and Chemical Sciences, University of L'Aquila, Via Vetoio 10, I-67010 L'Aquila, Italy.
authors.forename: Domenico
authors.initials: D
authors.lastname: Di Sante
authors.affiliation: Consiglio Nazionale delle Ricerche (CNR-SPIN), Via Vetoio, L'Aquila, Italy.
authors.forename: Silvia
authors.initials: S
authors.lastname: Picozzi
authors.affiliation: School of Physics, CRANN and AMBER, Trinity College, Dublin 2, Ireland.
authors.forename: Stefano
authors.initials: S
authors.lastname: Sanvito