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Impurity-Induced Topological Phase Transitions In Cd3As2 And Na3Bi Dirac Semimetals
University of Insubria, Italy;CNR-IMM, Italy.
Linnaeus University, Faculty of Technology, Department of Physics and Electrical Engineering.ORCID iD: 0000-0001-8189-383X
Linnaeus University, Faculty of Technology, Department of Physics and Electrical Engineering.ORCID iD: 0000-0003-1847-0863
CNR-IMM, Italy.
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2020 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 102, no 19, p. 195110-195123Article in journal (Refereed) Published
Abstract [en]

Using first-principles density functional theory calculations, combined with a topological analysis, we have investigated the electronic properties of Cd3As2 and Na3Bi Dirac topological semimetals doped with nonmagnetic 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, nonmagnetic and magnetic Weyl semimetal, and Chern insulator. The Dirac semimetal phase can exist only if the rotational symmetry Cn with n>2 is maintained. One particularly interesting phase emerging in doped Cd3As2 is a coexisting Dirac-Weyl phase, which occurs when only inversion symmetry is broken while time-reversal symmetry and rotational symmetry are both preserved. To further characterize the low-energy excitations of this phase, we have complemented our density functional results with a continuum four-band k⋅p model, which indeed displays nodal points of both Dirac and Weyl types. The coexisting phase appears as a transition point between two topologically distinct Dirac phases but may also survive in a small region of parameter space controlled by external strain.

Place, publisher, year, edition, pages
American Physical Society, 2020. Vol. 102, no 19, p. 195110-195123
Keywords [en]
Topological phase transition, Weyl semimetal, Dirac semimetals
National Category
Condensed Matter Physics
Research subject
Physics, Condensed Matter Physics
Identifiers
URN: urn:nbn:se:lnu:diva-99658DOI: 10.1103/PhysRevB.102.195110ISI: 000587595300001Scopus ID: 2-s2.0-85096340515OAI: oai:DiVA.org:lnu-99658DiVA, id: diva2:1511827
Funder
Swedish Research Council, 621-2014-4785, 2017-04404Available from: 2020-12-21 Created: 2020-12-21 Last updated: 2023-01-18Bibliographically approved
In thesis
1. Topological Phase Transitions in Magnetic Nanostructures of Dirac Materials
Open this publication in new window or tab >>Topological Phase Transitions in Magnetic Nanostructures of Dirac Materials
2021 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Over the past two decades, the discovery of topological Dirac materials, such as topological insulators and semimetals, has defined a new paradigm in condensed matter physics and established new platforms for realizing spin electronic devices and quantum computing. The novel quantum properties of these materials, which are mainly due to the presence of strong spin-orbit coupling, are invariant under topological transformations, making them more resilient to structural disorder, electromagnetic and thermal fluctuations in comparison to the conventional silicon-based materials. Their topological nature, characterized by topological invariants, depends crucially on the global symmetries of the system, with time-reversal symmetry and inversion symmetry being the most important ones. If these symmetries are broken by external fields, it is possible to cause transitions between different topological phases. One of the main challenges in this field is to determine the physical conditions under which different non-trivial topological phases can be realized, detected, and manipulated.

The present thesis aims at investigating the onset of different topological phases and associated quantum phenomena in topological material nanostructures such as thin films and nanoribbons where time-reversal symmetry is broken by the presence of magnetism. Specifically, using theoretical and computational methods based on atomistic tight-binding models and density functional theory, we have addressed four problems: (i) the possibility of realizing both the Chern insulator and the axion insulator phase in the same heterostructure consisting of a TI thin film sandwiched by two antiferromagnetic layers; (ii)  the origin of the deviations from exact quantization of the elusive topological magneto-electric effect in TI thin films in the axion insulator phase. For this purpose we have introduced a novel approach based on a non-local side-wall response that treats the quantum anomalous Hall effect and the topological magnetoelectric effect on the same footing; (iii) signatures in quantum transport of different topological phases in two-dimensional (graphene) and three-dimensional (Bi2Se3) TI nanoribbons under different configurations of the exchange field; (iv) non-magnetic- and magnetic-impurity-induced topological phase transitions in topological semimetals, with the prediction of a coexisting Dirac-Weyl mixed-phase under some given conditions. The results of this theoretical work in part elucidate some fundamental issues of magnetic topological materials, but also give indications for the experimental realization of quantum phenomena which have important technological applications.

Place, publisher, year, edition, pages
Linnaeus University Press, 2021. p. 75
Series
Linnaeus University Dissertations ; 426
Keywords
Topological insulators, Magnetic materials, Quantum anomalous Hall effect, Topological magneto electric effect, Dirac semimetals, Weyl semimetals
National Category
Condensed Matter Physics
Research subject
Physics, Condensed Matter Physics
Identifiers
urn:nbn:se:lnu:diva-106200 (URN)9789189460201 (ISBN)9789189460218 (ISBN)
Public defence
2021-09-10, Ma1053K, Magna huset, 15:00 (English)
Opponent
Supervisors
Available from: 2021-08-20 Created: 2021-08-19 Last updated: 2024-03-06Bibliographically approved

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Pournaghavi, NezhatIslam, FhokrulCanali, Carlo M.

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