Doping Topological Dirac Semimetal with magnetic impurities: electronic structure of Mn-doped Cd${}_3$As${}_2$

Abstract

The prospect of transforming a Dirac topological semimetal (TSM) into a Weyl TSM phase, following doping by magnetic impurities, is central to TSM applications. The magnetic field from polarized $d$ levels of magnetic impurities produces a field with a sharp local structure. To what extent magnetic impurities act in the same manner as an applied field and what are the effects of such a field on the electronic structure of a Dirac TSM is the subject of this paper. We present electronic structure calculations of bulk Cd${}_3$As${}_2$ with substitutional doping of Mn impurities in the dilute alloy range. Quasi-particle $GW$ (QS$GW$) ab-initio electronic structure calculations are used in conjunction with $k\cdot p$ model Hamiltonian calculations. As expected, we observe the splitting of the Dirac points into pairs of Weyl points following the doping with Mn. We also show that the electronic structure of Mn-doped Cd${}_3$As${}_2$ can be emulated by the electronic structure of pristine Cd${}_3$As${}_2$ with an appropriate external magnetic field. Some properties of the conductivity of bulk Cd${}_3$As${}_2$ for different magnetic field orientations are also investigated. Our results inform future opportunities for unique device functionality based on band structure tuning not found in conventional magnetic Weyl TSM.

References in corpus (32)

• Weyl and Dirac Semimetals in Three Dimensional Solids
• Weyl Semimetal in a Topological Insulator Multilayer
• Three Dimensional Dirac Semimetal and Quantum Transports in Cd3As2
• Ultrahigh mobility and giant magnetoresistance in the Dirac semimetal Cd${}_3$As${}_2$
• Observation of a topological 3D Dirac semimetal phase in high-mobility Cd3As2
• Quasiparticle Self-Consistent GW Theory
• All-electron self-consistent GW approximation: Application to Si, MnO, and NiO
• Progress and prospects in magnetic topological materials
• Landau Quantization and Quasiparticle Interference in the Three-Dimensional Dirac Semimetal Cd3As2
• Quasiparticle self-consistent $GW$ method; a basis for the independent-particle approximation
• Dielectric response and novel electromagnetic modes in three-dimensional Dirac semimetal films
• Theory of the anomalous Hall effect from the Kubo formula and the Dirac equation
• Axion-Field-Enabled Nonreciprocal Thermal Radiation in Weyl Semimetals
• Cd3As2 is Centrosymmetric
• Spin fluctuation induced Weyl semimetal state in the paramagnetic phase of EuCd${}_2$As${}_2$
• Giant tunable nonreciprocity of light in Weyl semimetals
• Questaal: a package of electronic structure methods based on the linear muffin-tin orbital technique
• Surface plasmon polaritons in topological Weyl semimetals
• A Single Pair of Weyl Fermions in Half-metallic EuCd2As2 Semimetal
• 3D Dirac semimetal Cd3As2: A review of material properties
• Topological Semimetal Nanostructures: From Properties to Topotronics
• First-principles Theory of Nonlocal Screening in Graphene
• Dirac and Weyl Semimetal in XYBi (X=Ba, Eu; Y=Cu, Ag and Au)
• Soft phonons and ultralow lattice thermal conductivity in the Dirac semimetal Cd3As2
• Density response in Weyl metals
• EuCd${}_2$As${}_2$: a magnetic semiconductor
• First principles theory of Dirac semimetal Cd${}_3$As${}_2$ under Zeeman magnetic field
• Direct link between disorder, mobility and magnetoresistance in topological semimetals
• Absence of Weyl nodes in EuCd${}_2$As${}_2$ revealed by the carrier density dependence of the anomalous Hall effect
• Challenges to magnetic doping of thin films of the Dirac semimetal Cd${}_3$As${}_2$
• Intrinsic insulating transport characteristics in low-carrier density EuCd2As2 films
• Theory for Cd${}_3$As${}_2$ thin films in the presence of magnetic fields