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We propose a scheme to determine the energy-band dispersion of quasicrystals which does not require any periodic approximation and which directly provides the correct structure of the extended Brillouin zones. In the gap labelling viewpoint, this allow to transpose the measure of the integrated density-of-states to the measure of the effective Brillouin-zone areas that are uniquely determined by the position of the Bragg peaks. Moreover we show that the Bragg vectors can be determined by the stability analysis of the law of recurrence used to generate the quasicrystal. Our analysis of the gap labelling in the quasi-momentum space opens the way to an experimental proof of the gap labelling itself within the framework of an optics experiment, polaritons, or with ultracold atoms.
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The article discusses the following frequently arising question on the spectral structure of periodic operators of mathematical physics (e.g., Schroedinger, Maxwell, waveguide operators, etc.). Is it true that one can obtain the correct spectrum by using the values of the quasimomentum running over the boundary of the (reduced) Brillouin zone only, rather than the whole zone? Or, do the edges of the spectrum occur necessarily at the set of ``corner high symmetry points? This is known to be true in 1D, while no apparent reasons exist for this to be happening in higher dimensions. In many practical cases, though, this appears to be correct, which sometimes leads to the claims that this is always true. There seems to be no definite answer in the literature, and one encounters different opinions about this problem in the community. In this paper, starting with simple discrete graph operators, we construct a variety of convincing multiply-periodic examples showing that the spectral edges might occur deeply inside the Brillouin zone. On the other hand, it is also shown that in a ``generic case, the situation of spectral edges appearing at high symmetry points is stable under small perturbations. This explains to some degree why in many (maybe even most) practical cases the statement still holds.
We investigate the formation of a two-dimensional quasicrystal in a monodisperse system, using molecular dynamics simulations of hard sphere particles interacting via a two-dimensional square-well potential. We find that more than one stable crystalline phase can form for certain values of the square-well parameters. Quenching the liquid phase at a very low temperature, we obtain an amorphous phase. By heating this amorphous phase, we obtain a quasicrystalline structure with five-fold symmetry. From estimations of the Helmholtz potentials of the stable crystalline phases and of the quasicrystal, we conclude that the observed quasicrystal phase can be the stable phase in a specific range of temperatures.
A large set of recent experiments has been exploring topological transport in bosonic systems, e.g. of photons or phonons. In the vast majority, time-reversal symmetry is preserved, and band structures are engineered by a suitable choice of geometry, to produce topologically nontrivial bandgaps in the vicinity of high-symmetry points. However, this leaves open the possibility of large-quasimomentum backscattering, destroying the topological protection. Up to now, it has been unclear what precisely are the conditions where this effect can be sufficiently suppressed. In the present work, we introduce a comprehensive semiclassical theory of tunneling transitions in momentum space, describing backscattering for one of the most important system classes, based on the valley Hall effect. We predict that even for a smooth domain wall effective scattering centres develop at locations determined by both the local slope of the wall and the energy. Moreover, our theory provides a quantitative analysis of the exponential suppression of the overall reflection amplitude with increasing domain wall smoothness.
We report an efficient algorithm for calculating momentum-space integrals in solid state systems on modern graphics processing units (GPUs). Our algorithm is based on the tetrahedron method, which we demonstrate to be ideally suited for execution in a GPU framework. In order to achieve maximum performance, all floating point operations are executed in single precision. For benchmarking our implementation within the CUDA programming framework we calculate the orbital-resolved density of states in an iron-based superconductor. However, our algorithm is general enough for the achieved improvements to carry over to the calculation of other momentum integrals such as, e.g. susceptibilities. If our program code is integrated into an existing program for the central processing unit (CPU), i.e. when data transfer overheads exist, speedups of up to a factor $sim130$ compared to a pure CPU implementation can be achieved, largely depending on the problem size. In case our program code is integrated into an existing GPU program, speedups over a CPU implementation of up to a factor $sim165$ are possible, even for moderately sized workloads.
We introduce a fundamental restriction on the strain energy function and stress tensor for initially stressed elastic solids. The restriction applies to strain energy functions $W$ that are explicit functions of the elastic deformation gradient $mathbf{F}$ and initial stress $boldsymbol tau$, i.e. $W:= W(mathbf F, boldsymbol tau)$. The restriction is a consequence of energy conservation and ensures that the predicted stress and strain energy do not depend upon an arbitrary choice of reference configuration. We call this restriction: initial stress reference independence (ISRI). It transpires that almost all strain energy functions found in the literature do not satisfy ISRI, and may therefore lead to unphysical behaviour, which we illustrate via a simple example. To remedy this shortcoming we derive three strain energy functions that do satisfy the restriction. We also show that using initial strain (often from a virtual configuration) to model initial stress leads to strain energy functions that automatically satisfy ISRI. Finally, we reach the following important result: ISRI reduces the number of unknowns of the linear stress tensor of initially stressed solids. This new way of reducing the linear stress may open new pathways for the non-destructive determination of initial stresses via ultrasonic experiments, among others.
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