Impurity induced topological phase transitions in Cd$_3$As$_2$ and Na$_3$Bi Dirac semimetals

11 Nov 2020 Rancati A. Pournaghavi N. Islam M. F. Debernardi A. Canali C. M.

Using first-principles density functional theory calculations, combined with a topological analysis, we have investigated the electronic properties of $Cd_3As_2$ and $Na_3Bi$ Dirac topological semimetals doped with non-magnetic and magnetic impurities. Our systematic analysis shows that the selective breaking of the inversion, rotational and time-reversal symmetry, controlled by specific choices of the impurity doping, induces phase transitions from the original Dirac semimetal to a variety of topological phases such as, topological insulator, trivial semimetal, non-magnetic and magnetic Weyl semimetal, and Chern insulator... (read more)

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