Topological Dirac Nodal Lines and Surface Charges in fcc Alkaline Earth Metals

Abstract

In nodal-line semimetals, the gaps close along loops in $\mathbf{k}$ space, which are not at high-symmetry points. Typical mechanisms for the emergence of nodal lines involve mirror symmetry and the $\pi$ Berry phase. Here, we show via ab initio calculations that fcc calcium (Ca), strontium (Sr) and ytterbium (Yb) have topological nodal lines with the $\pi$ Berry phase near the Fermi level, when spin-orbit interaction is neglected. In particular, Ca becomes a nodal-line semimetal at high pressure. Owing to nodal lines, the Zak phase becomes either $\pi$ or 0 depending on the wavavector $\mathbf{k}$, and the $\pi$ Zak phase leads to surface polarization charge. Carriers eventually screen it, leaving behind large surface dipoles. In materials with nodal lines, both the large surface polarization charge and the emergent drumhead surface states enhance Rashba splitting when heavy adatoms are present, as we have shown to occur in Bi/Sr(111) and in Bi/Ag(111).

14 pages, 11 figures

References in corpus (25)

• Discovery of a Weyl Fermion Semimetal and Topological Fermi Arcs
• Type-II Weyl Semimetals
• Theoretical Discovery/Prediction: Weyl Semimetal states in the TaAs material (TaAs, NbAs, NbP, TaP) class
• Phase transition between the quantum spin Hall and insulator phases in 3D: emergence of a topological gapless phase
• Observation of Weyl nodes in TaAs
• Discovery of a Weyl Fermion semimetal state in NbAs
• Topological nodal line semimetals with and without spin-orbital coupling
• Dirac Line Nodes in Inversion Symmetric Crystals
• Topological Nodal Line Semimetal and Dirac Semimetal State in Antiperovskite Cu${}_3$PdN
• Topological Node-Line Semimetal in Three Dimensional Graphene Networks
• Prediction of the Weyl semimetal in the orthorhombic MoTe2
• A new type of Weyl semimetal with quadratic double Weyl fermions in SrSi2
• Topological semi-metals with line nodes and drumhead surface states
• Spin-orbit-free Weyl-loop and Weyl-point semimetals in a stable three-dimensional carbon allotrope
• Potential ring of Dirac nodes in a new polymorph of Ca${}_3$P${}_2$
• Drumhead Surface States and Topological Nodal-Line Fermions in TlTaSe2
• Line of Dirac Nodes in Hyper-Honeycomb Lattices
• Weyl Node and Spin Texture in Trigonal Tellurium and Selenium
• Line-Node Dirac Semimetal and Topological Insulating Phase in Noncentrosymmetric Pnictides CaAgX (X = P, As)
• Weyl semimetals from noncentrosymmetric topological insulators
• Dirac node lines in pure alkali earth metals
• Helical edge and surface states in HgTe quantum wells and bulk insulators
• Topological Node-Line Semimetal in Compressed Black Phosphorus
• Topological semimetals and topological insulators in rare earth monopnictides
• Combining photoemission and optical spectroscopies for reliable valence determination in YbS and Yb metal

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• Topological nodal-line semimetals in ferromagnetic rare-earth-metal monohalides
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• Conversion rules for Weyl points and nodal lines in topological media
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• S-wave Superconductivity in the Dirac Line-nodal Material CaSb2
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• Simulation of nodal-line semimetal in amplitude-shaken optical lattices
• Theoretical analysis of anisotropic upper critical field of superconductivity in nodal-line semimetals
• Time dependent electric transport in nodal-loop semimetals
• Finite size and volume effects in line node semimetals: a first-principles investigation
• Subtle Structural Anomaly under Compression in Line-Nodal CaSb${}_2$
• Topological Fermi-arc-like surface states in Kramers nodal line metals
• Illuminating the Bragg intersections as roots of Dirac nodal lines and high-order van Hove singularities
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• Signature of topological crystalline insulating behavior in new B2X2Zn (X=Ir, Rh, Co) compound from first-principles Computation
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