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Drumhead Surface States and Topological Nodal-Line Fermions in TlTaSe2

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 Added by M Zahid Hasan
 Publication date 2015
  fields Physics
and research's language is English




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A topological nodal-line semimetal is a new condensed matter state with one-dimensional bulk nodal lines and two-dimensional drumhead surface bands. Based on first-principles calculations and our effective k . p model, we propose the existence of topological nodal-line fermions in the ternary transition- metal chalcogenide TlTaSe2. The noncentrosymmetric structure and strong spin-orbit coupling give rise to spinful nodal-line bulk states which are protected by a mirror reflection symmetry of this compound. This is remarkably distinguished from other proposed nodal-line semimetals such as Cu3NPb(Zn) in which nodal lines exist only in the limit of vanishing spin-orbit coupling. We show that the drumhead surface states in TlTaSe2, which are associated with the topological nodal lines, exhibit an unconventional chiral spin texture and an exotic Lifshitz transition as a consequence of the linkage among multiple drumhead surface-state pockets.



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In an ordinary three-dimensional metal the Fermi surface forms a two-dimensional closed sheet separating the filled from the empty states. Topological semimetals, on the other hand, can exhibit protected one-dimensional Fermi lines or zero-dimensional Fermi points, which arise due to an intricate interplay between symmetry and topology of the electronic wavefunctions. Here, we study how reflection symmetry, time-reversal symmetry, SU(2) spin-rotation symmetry, and inversion symmetry lead to the topological protection of line nodes in three-dimensional semi-metals. We obtain the crystalline invariants that guarantee the stability of the line nodes in the bulk and show that a quantized Berry phase leads to the appearance of protected surfaces states with a nearly flat dispersion. By deriving a relation between the crystalline invariants and the Berry phase, we establish a direct connection between the stability of the line nodes and the topological surface states. As a representative example of a topological semimetal with line nodes, we consider Ca$_3$P$_2$ and discuss the topological properties of its Fermi line in terms of a low-energy effective theory and a tight-binding model, derived from ab initio DFT calculations. Due to the bulk-boundary correspondence, Ca$_3$P$_2$ displays nearly dispersionless surface states, which take the shape of a drumhead. These surface states could potentially give rise to novel topological response phenomena and provide an avenue for exotic correlation physics at the surface.
We study the electronic structure of the nodal line semimetal ZrSiTe both experimentally and theoretically. We find two different surface states in ZrSiTe - topological drumhead surface states and trivial floating band surface states. Using the spectra of Wilson loops, we show that a non-trivial Berry phase that exists in a confined region within the Brillouin Zone gives rise to the topological drumhead-type surface states. The $mathbb{Z}_2$ structure of the Berry phase induces a $mathbb{Z}_2$ modular arithmetic of the surface states, allowing surface states deriving from different nodal lines to hybridize and gap out, which can be probed by a set of Wilson loops. Our findings are confirmed by textit{ab-initio} calculations and angle-resolved photoemission experiments, which are in excellent agreement with each other and the topological analysis. This is the first complete characterization of topological surface states in the family of square-net based nodal line semimetals and thus fundamentally increases the understanding of the topological nature of this growing class of topological semimetals.
We investigate systematically the bulk and surface electronic structure of the candidate nodal-line semimetal CaAgAs by angle resolved photoemission spectroscopy and density functional calculations. We observed a metallic, linear, non-$k_z$-dispersive surface band that coincides with the high-binding-energy part of the theoretical topological surface state, proving the topological nontriviality of the system. An overall downshift of the experimental Fermi level points to a rigid-band-like $p$-doping of the samples, due possibly to Ag vacancies in the as-grown crystals.
Symmetry plays a major role in all disciplines of physics. Within the field of topological materials there is a great interest in understanding how the mechanics of crystalline and internal symmetries protect crossings between the conduction and valence bands. Additionally, exploring this direction can lead to a deeper understanding on the topological properties of crystals hosting a variety of symmetries. For the first time, we report the experimental observation of topological surface states in the nodal loop semimetal HfP2 using angle resolved photoemission spectroscopy (ARPES) which is supported by our first principles calculations. Our study shows termination dependent surface states in this compound. Our experimental data reveal surface states linked to three unique nodal loops confirmed by theoretical calculation to be topologically non-trivial. This work demonstrates that transition metal dipnictides provide a good platform to study non-trivial topological states protected by nonsymmorphic symmetry.
We review the recent, mainly theoretical, progress in the study of topological nodal line semimetals in three dimensions. In these semimetals, the conduction and the valence bands cross each other along a one-dimensional curve in the three-dimensional Brillouin zone, and any perturbation that preserves a certain symmetry group (generated by either spatial symmetries or time-reversal symmetry) cannot remove this crossing line and open a full direct gap between the two bands. The nodal line(s) is hence topologically protected by the symmetry group, and can be associated with a topological invariant. In this Review, (i) we enumerate the symmetry groups that may protect a topological nodal line; (ii) we write down the explicit form of the topological invariant for each of these symmetry groups in terms of the wave functions on the Fermi surface, establishing a topological classification; (iii) for certain classes, we review the proposals for the realization of these semimetals in real materials and (iv) we discuss different scenarios that when the protecting symmetry is broken, how a topological nodal line semimetal becomes Weyl semimetals, Dirac semimetals and other topological phases and (v) we discuss the possible physical effects accessible to experimental probes in these materials.
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