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Modular Arithmetic with Nodal Lines: Drumhead Surface States in ZrSiTe

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 Added by Lukas Muechler
 Publication date 2019
  fields Physics
and research's language is English




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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.



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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.
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.
Nodal lines, as one-dimensional band degeneracies in momentum space, usually feature a linear energy splitting. Here, we propose the concept of magnetic higher-order nodal lines, which are nodal lines with higher-order energy splitting and realized in magnetic systems with broken time reversal symmetry. We provide sufficient symmetry conditions for stabilizing magnetic quadratic and cubic nodal lines, based on which concrete lattice models are constructed to demonstrate their existence. Unlike its counterpart in nonmagnetic systems, the magnetic quadratic nodal line can exist as the only band degeneracy at the Fermi level. We show that these nodal lines can be accompanied by torus surface states, which form a surface band that span over the whole surface Brillouin zone. Under symmetry breaking, these magnetic nodal lines can be transformed into a variety of interesting topological states, such as three-dimensional quantum anomalous Hall insulator, multiple linear nodal lines, and magnetic triple-Weyl semimetal. The three-dimensional quantum anomalous Hall insulator features a Hall conductivity $sigma_{xy}$ quantized in unit of $e^2/(hd)$ where $d$ is the lattice constant normal to the $x$-$y$ plane. Our work reveals previously unknown topological states, and offers guidance to search for them in realistic material systems.
Having been a ground for various topological fermionic phases, the family of ZrSiS-type 111 materials has been under experimental and theoretical investigations. Within this family of materials, the subfamily LnSbTe (Ln = lanthanide elements) is gaining interests in recent times as the strong correlation effects and magnetism arising from the 4f electrons of the lanthanides can provide an important platform to study the linking between topology, magnetism, and correlation. In this paper, we report the systematic study of the electronic structure of SmSbTe - a member of the LnSbTe subfamily - by utilizing angle-resolved photoemission spectroscopy in conjunction with first-principles calculations, transport, and magnetic measurements. Our experimental results identify multiple Dirac nodes forming the nodal-lines along the G- X and Z- R directions in the bulk Brillouin zone (BZ) as predicted by our theoretical calculations. A surface Dirac-like state that arises from the square net plane of the Sb atoms is also observed at the X point of the surface BZ. Our study highlights SmSbTe as a promising candidate to understand the topological electronic structure of LnSbTe materials.
We consider a two-orbital tight-binding model defined on a layered three-dimensional hexagonal lattice to investigate the properties of topological nodal lines and their associated drumhead surface states. We examine these surface states in centrosymmetric systems, where the bulk nodal lines are of Dirac type (i.e., four-fold degenerate), as well as in non-centrosymmetric systems with strong Rashba and/or Dresselhaus spin-orbit coupling, where the bulk nodal lines are of Weyl type (i.e., two-fold degenerate). We find that in non-centrosymmetric systems the nodal lines and their corresponding drumhead surface states are fully spin polarized due to spin-orbit coupling. We show that unique signatures of the topologically nontrivial drumhead surface states can be measured by means of quasiparticle scattering interference, which we compute for both Dirac and Weyl nodal line semimetals. At the end, we analyze the possible crystal structures with a symmetry that supports flat surface states which are effectively ringlike.
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