2014
DOI: 10.1103/physrevlett.113.256403
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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 ½As 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 spac… Show more

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Cited by 65 publications
(82 citation statements)
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“…The effect of anisotropic compression is precisely that of reducing the mass inversion strength and can be mimicked by tuning the parameter m 0 in the low-energy model. Remarkably, this is similar to the effect of alloying Cd 3 As 2 with a lighter element, which also causes such a motion and annihilation of Dirac points [50]. Despite the slight difference of the critical c/a value given by theory and experiments, we found that their overall decreasing trend of energy gap when reducing c/a is quite similar.…”
Section: Resultssupporting
confidence: 78%
“…The effect of anisotropic compression is precisely that of reducing the mass inversion strength and can be mimicked by tuning the parameter m 0 in the low-energy model. Remarkably, this is similar to the effect of alloying Cd 3 As 2 with a lighter element, which also causes such a motion and annihilation of Dirac points [50]. Despite the slight difference of the critical c/a value given by theory and experiments, we found that their overall decreasing trend of energy gap when reducing c/a is quite similar.…”
Section: Resultssupporting
confidence: 78%
“…Recent studies on the solid solutions of TlBiSe 2−x S x and Bi 2−x In x Se 3 have confirmed the existence of a quantum phase transition tuned by chemical doping from topological insulators to trivial band insulators 29, 30 . A topological phase transition from a 3D Dirac semimetal to a trivial semiconductor was predicted in Na 3 Bi 1−x Sb x and Cd 3 (As 1−x P x ) 2 by first-principle calculations as well 31 .…”
Section: Introductionmentioning
confidence: 91%
“…An expanded view of the dispersion along the Γ − A direction (inset) shows the symmetry-protected intersection of two two fold degenerate branches with distinct Jz rotational eigenvalues at a Dirac point along the symmetry axis. (Adapted from calculations for thin films in the A 3 Bi family (Narayan et al, 2014).…”
Section: A Dirac Semimetal From Band Inversionmentioning
confidence: 99%