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.

arXiv commentUpdated text, published version

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Cited by in corpus (31)

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• Topological charges of three-dimensional Dirac semimetals with rotation symmetry
• Local invariants identify topology in metals and gapless systems
• 3D Dirac cone carrier dynamics in Na3Bi and Cd3As2
• Floquet dynamics in two-dimensional semi-Dirac semimetals and three-dimensional Dirac semimetals
• Topological Insulator to Dirac Semimetal Transition Driven by Sign Change of Spin-Orbit Coupling in Thallium Nitride
• Two-Dimensional Dirac Fermions in Thin Films of Cd3As2
• Alloy engineering of topological semimetal phase transition in MgTa${}_{2-x}$Nb${}_x$N${}_3$
• Topological Phase Transition in Single Crystals of $(C{d}_{1-x}Z{n}_x{)}_{3}A{s}_2$
• Lifshitz transition and van Hove singularity in a Topological Dirac Semimetal
• Dimensional Crossover and Topological Phase Transition in Dirac Semimetal Na3Bi Films
• Disorder-Induced Weyl Semimetal Phase and Sequential Band Inversions in PbSe-SnSe Alloys
• Engineering and probing topological properties of Dirac semimetal films by asymmetric charge transfer
• Evidence for pressure-induced node-pair annihilation in Cd3As2
• Absence of signatures of Weyl orbits in the thickness dependence of quantum transport in cadmium arsenide
• Impurity induced topological phase transitions in Cd${}_3$As${}_2$ and Na${}_3$Bi Dirac semimetals
• Quantum oscillations of the magnetic torque in the nodal-line Dirac semimetal ZrSiS
• Spectroscopic evidence of topological phase transition in 3D Dirac semimetal Cd${}_3$(As${}_{1-x}$P${}_x$)${}_2$
• Resonant impurity states in chemically disordered half-Heusler Dirac semimetals
• Electron-phonon superconductivity in C-doped topological nodal-line semimetal Zr${}_5$Pt${}_3$: A muon spin rotation and relaxation ($\mu$SR) study
• Sea of Majorana fermions from pseudo-scalar superconducting order in three dimensional Dirac materials
• Strain-induced topological charge control in multifold fermion systems
• Combined Fast Reversible Liquid-like Elastic Deformation with Topological Phase Transition in Na${}_3$Bi
• Topological Dirac Semimetal Phase in Bismuth Based Anode Materials for Sodium-Ion Batteries
• Topological phases in $\alpha$-Li${}_3$N-type crystal structure of light-element compounds
• Finite size and volume effects in line node semimetals: a first-principles investigation
• Probing the semiconductor-to-dirac semimetal transition in Na-Sb-Bi alloys with x-ray Compton scattering