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Register a new userDesigning Dirac points in two-dimensional lattices
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We present a framework to elucidate the existence of accidental contacts of energy bands, particularly those called Dirac points which are the point contacts with linear energy dispersions in their vicinity. A generalized von-Neumann-Wigner theorem we propose here gives the number of constraints on the lattice necessary to have contacts without fine tuning of lattice parameters. By counting this number, one could quest for the candidate of Dirac systems without solving the secular equation. The constraints can be provided by any kinds of symmetry present in the system. The theory also enables the analytical determination of k-point having accidental contact by selectively picking up only the degenerate solution of the secular equation. By using these frameworks, we demonstrate that the Dirac points are feasible in various two-dimensional lattices, e.g. the anisotropic Kagome lattice under inversion symmetry is found to have contacts over the whole lattice parameter space. Spin-dependent cases, such as the spin-density-wave state in LaOFeAs with reflection symmetry, are also dealt with in the present scheme.
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Xenes, graphene-like two-dimensional (2D) monoelemental crystals with a honeycomb symmetry, have been the focus of numerous experimental and theoretical studies. In comparison, single-element 2D materials with a triangular lattice symmetry have not received due attention. Here, taking Pb as an example, we investigate the triangular-lattice monolayer made of group-IV atoms employing first-principles density functional theory calculations. The flat Pb monolayer supports a mirror-symmetry-protected spinless nodal line in the absence spin-orbit coupling (SOC). The introduction of an out-of-plane buckling creates a glide mirror, protecting an anisotropic Dirac nodal loop. Both flat and buckled Pb monolayers become topologically trivial after including SOC. A large buckling will make the Pb sheet a 2D semiconductor with symmetry-protected Dirac points below the Fermi level. The electronic structures of other group-IV triangular lattices such as Ge and Sn demonstrate strong similarity to Pb. We further design a quasi-3D crystal PbHfO$_2$ by alternately stacking Pb and 1T-HfO$_2$ monolayers. The new compound PbHfO$_2$ is dynamically stable and retains the properties of Pb monolayer. By applying epitaxial strains to PbHfO$_2$, it is possible to drive an insulator-to-metal transition coupled with an anti-ferroelectric-to-paraelectric phase transition. Our results suggest the potential of the 2D triangular lattice as a complimentary platform to design new type of broadly-defined Xenes.
We present an accurate ab initio tight-binding model, capable of describing the dynamics of Dirac points in tunable honeycomb optical lattices following a recent experimental realization [L. Tarruell et al., Nature 483, 302 (2012)]. Our scheme is based on first-principle maximally localized Wannier functions for composite bands. The tunneling coefficients are calculated for different lattice configurations, and the spectrum properties are well reproduced with high accuracy. In particular, we show which tight binding description is needed in order to accurately reproduce the position of Dirac points and the dispersion law close to their merging, for different laser intensities.
We study thermal rectifying effect in two dimensional (2D) systems consisting of the Frenkel Kontorva (FK) lattice and the Fermi-Pasta-Ulam (FPU) lattice. It is found that the rectifying effect is related to the asymmetrical interface thermal resistance. The rectifying efficiency is typically about two orders of magnitude which is large enough to be observed in experiment. The dependence of rectifying efficiency on the temperature and temperature gradient is studied. The underlying mechanism is found to be the match and mismatch of the spectra of lattice vibration in two parts.
The modes of vibrations in honeycomb and auxetic structures are studied, with models in which the lattice is represented by a planar network where sites are connected by strings and rigid rods. The auxetic network is obtained modifying a model proposed by Evans et al. in 1991, and used to explain the negative Poissons ratio of auxetic materials. This relevant property means that the materials have a lateral extension, instead to shrink, when they are stretched. For what concerns the acoustic properties of these structures, they absorb noise and vibrations more efficiently than non-auxetic equivalents. The acoustic and optical dispersions obtained in the case of the auxetic model are compared with the dispersions displayed by a conventional honeycomb network. It is possible to see that the phonon dispersions of the auxetic model possess a complete bandgap and that the Goldstone mode group velocity is strongly dependent on the direction of propagation. The presence of a complete bandgap can explain some experimental observations on the sound propagation properties of the auxetic materials.
The structural and electronic properties of germanene coated Ge$_2$Pt clusters have been determined by scanning tunneling microscopy and spectroscopy at room temperature. The interior of the germanene sheet exhibits a buckled honeycomb structure with a lattice constant of 4.3 AA and a buckling of 0.2 AA. The zigzag edges of germanene are reconstructed and display a 4$times$ periodicity. The differential conductivity of the interior of the germanene sheet has a V-shape, which is reminiscent of the density of states of a two-dimensional Dirac system. The minimum of the differential conductivity is located close to the Fermi level and has a non-zero value, which we ascribe to the metallic character of the underlying Ge$_2$Pt substrate. Near the reconstructed germanene zigzag edges the shape of the differential conductivity changes from a V-shape to a more parabolic-like shape, revealing that the reconstructed germanene zigzag edges do not exhibit a pronounced metallic edge state.
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