Phason Modes Research Articles

Phason and Amplitudon Modes in K3Na(SeO4)2 Crystal

For the first time, the Nambu–Goldstone optical mode has been observed in ferroelastic crystals. The amplitudon and phason modes were identified in the Raman spectra of the K3Na(SeO4)2 (KNSe) crystal. We discuss the occurrence of such lattice vibration with regard to the possible presence of an incommensurate (IC) phase. The potential scenario of the dynamics of the SO4 tetrahedron leading to the appearance of an IC phase, accompanied by critical temperature behavior of two external vibrations of Ag symmetry, is given together with the molecular mechanism of the phase transitions in the material studied. The effect of the spatial reorganization of the crystal lattice associated with the ferroelastic domains of the KNSe crystal of W and W′ types is also discussed. We show that the emergence of such a domain structure may also be a source of incommensurability.

Anomalous Interlayer Exciton Diffusion in WS2/WSe2 Moiré Heterostructure.

Stacking van der Waals crystals allows for the on-demand creation of a periodic potential landscape to tailor the transport of quasiparticle excitations. We investigate the diffusion of photoexcited electron-hole pairs, or excitons, at the interface of WS2/WSe2 van der Waals heterostructure over a wide range of temperatures. We observe the appearance of distinct interlayer excitons for parallel and antiparallel stacking and track their diffusion through spatially and temporally resolved photoluminescence spectroscopy from 30 to 250 K. While the measured exciton diffusivity decreases with temperature, it surprisingly plateaus below 90 K. Our observations cannot be explained by classical models like hopping in the moiré potential. A combination of ab initio theory and molecular dynamics simulations suggests that low-energy phonons arising from the mismatched lattices of moiré heterostructures, also known as phasons, play a key role in describing and understanding this anomalous behavior of exciton diffusion. Our observations indicate that the moiré potential landscape is dynamic down to very low temperatures and that the phason modes can enable efficient transport of energy in the form of excitons.

Phonon-phason coupling and nonlocal effects on Lamb waves in functionally graded one-dimensional hexagonal quasicrystal nanoplates

Due to the coupled phonon-phason coupling and nonlocal effects, dynamic behaviors of quasicrystal nanostructures are highly complex. Mechanics investigations have mainly focused on the statics, but rarely on dynamics, thus limiting their engineering applications. In the present paper, a fractional order elastodynamics model is proposed to investigate guided waves propagating in functionally graded one-dimensional hexagonal quasicrystal nanoplates in the context of the nonlocal theory. In this model, the fractional order can be flexibly adjusted to describe the role of the phason field accurately. Phase velocity and attenuation curves, as well as stress distributions, are illustrated. The phonon-phason coupling and nonlocal effects on wave characteristics are studied. Some new results are revealed: The fractional order considerably influences phason modes, but weakly affects phonon modes; The phonon-phason coupling and the nonlocal effects promote each other. These results establish a theoretical foundation for designing and optimizing quasicrystal nanostructures.

Rayleigh Waves Propagating in the Functionally Graded One-Dimensional Hexagonal Quasicrystal Half-Space

For the manufacturing and optimization of quasicrystal structures, Rayleigh waves propagating in the functionally graded one-dimensional hexagonal quasicrystal half-space are investigated. The analytical Laguerre orthogonal polynomial method is employed to solve dynamic equations of wave motion, which greatly improves the computational efficiency. Dispersion curves and displacement distributions are illustrated. The influences of the phonon–phason coupling effect, inhomogeneity, and quasiperiodic direction on wave characteristics are analyzed. Some new results are obtained: (1) Compared with the classical Laguerre polynomial method, the improvement in computational efficiency of the analytical Laguerre polynomial method is more than 99%. (2) The energy penetration depth of phason modes is greater than that of phonon modes. The results lay a theoretical foundation for designing and optimizing SAW devices.

Electrons Surf Phason Waves in Moiré Bilayers.

We investigate the effect of thermal fluctuations on the atomic and electronic structure of a twisted MoSe2/WSe2 heterobilayer using a combination of classical molecular dynamics and ab initio density functional theory calculations. Our calculations reveal that thermally excited phason modes give rise to an almost rigid motion of the moiré lattice. Electrons and holes in low-energy states are localized in specific stacking regions of the moiré unit cell and follow the thermal motion of these regions. In other words, charge carriers surf phason waves that are excited at finite temperatures. We also show that such surfing survives in the presence of a substrate and frozen potential. This effect has potential implications for the design of charge and exciton transport devices based on moiré materials.

Symmetry origin of lattice vibration modes in twisted multilayer graphene: Phasons versus moiré phonons

Lattice dynamics play a crucial role in the physics of Moir\'e systems. In twisted bilayer graphene (TBG), it was shown that, in addition to the graphene phonons, there is another set of gapless excitations termed Moir\'e Phonons [Phys. Rev. B, 075416, 2019] reflecting the lattice dynamics at the Moire superlattice level. These modes were later suggested to be phasons due to the incommensurate stacking of the two graphene layers [Phys. Rev. B, 155426, 2019]. In this work, we elucidate the equivalence of these two seemingly distinct perspectives by identifying an underlying symmetry, which we dub mismatch symmetry, that exists for any twist angle. For commensurate angles, this is a discrete symmetry whereas for incommensurate angles, it is equivalent to a continuous phase symmetry giving rise to phason modes. In the small angle limit, such symmetry becomes a continuous local symmetry whose spontaneous breaking gives rise to Moir\'e phonons as its Goldstone mode. We derive an effective field theory for these collective modes in TBG in precise agreement with the full model and discuss their different properties. Our analysis is then generalized to twisted multilayer graphene (TMG) where we identify higher order mismatch and deduce the count of gapless modes including graphene phonons, Moir\'e phonons and phasons. Especially, we study twisted mirror-symmetric trilayer graphene with an alternating twist angle $\theta$ and find that it can be mapped to a TBG with the re-scaled twist angle $\sqrt{2/3}\theta$, hosting the same Moir\'e phonon modes in the even mirror sector with an additional set of gapped modes in the odd sector. Our work presents a systematic study of lattice symmetries in TMG providing insights into its unique lattice dynamics.

Degradation of Phonons in Disordered Moiré Superlattices.

The elastic collective modes of a moiré superlattice arise not from vibrations of a rigid crystal but from the relative displacement between the constituent layers. Despite their similarity to acoustic phonons, these modes, called phasons, are not protected by any conservation law. Here, we show that disorder in the relative orientation between the layers and thermal fluctuations associated with their sliding motion degrade the propagation of sound in the moiré superlattice. Specifically, the phason modes become overdamped at low energies and acquire a finite gap, which displays a universal dependence on the twist-angle variance. Thus, twist-angle inhomogeneity is manifested not only in the noninteracting electronic structure of moiré systems, but also in their phononlike modes. More broadly, our results have important implications for the electronic properties of twisted moiré systems that are sensitive to the electron-phonon coupling.

Guided waves in a functionally graded 1-D hexagonal quasi-crystal plate with piezoelectric effect

For the purpose of design and optimization for piezoelectric quasi-crystal transducers, guided waves in a functionally graded 1-D hexagonal piezoelectric quasi-crystal plate are investigated. In this paper, a model combined with the Bak’s and elastohydrodynamic models is utilized to derive governing equations of wave motion, and real, pure imaginary, and complex roots of governing equations are calculated by using the modified Legendre polynomial method. Subsequently, dispersion curves and displacements of phonon and phason modes are illustrated. Then, guided waves in functionally graded 1-D hexagonal piezoelectric quasi-crystal plates with different quasi-periodic directions are studied. And the phonon-phason coupling effect on Lamb and SH waves are analyzed. Accordingly, some interesting results are obtained: The phonon-phason coupling just affects Lamb waves in the x- and z-direction quasi-crystal plates, and SH waves in the y-direction quasi-crystal plate. Besides, frequencies of propagative phason modes decrease as phonon-phason coupling coefficients Ri increase. Furthermore, a variation in the polarization has a more significant influence on phonon modes, and a variation in the quasi-periodic direction has a more significant influence on phason modes.

New paradigm for glassy-like anomalies in solids from fundamental symmetries

Glasses and disordered materials are known to display anomalous features in the density of states, in the specific heat and in thermal transport. Nevertheless, in recent years, the question whether these properties are really anomalous (and peculiar of disordered systems) or rather more universal than previously thought, has emerged. New experimental and theoretical observations have questioned the origin of the boson peak (BP) and the linear in T specific heat exclusively from disorder and two-level systems (TLS). The same properties have been indeed observed in ordered or minimally disordered compounds and in incommensurate structures for which the standard explanations are not applicable. Using the formal analogy between phason modes (e.g., in quasicrystals and incommensurate lattices) and diffusions, and between amplitude modes and optical phonons, we suggest the existence of a more universal physics behind these properties. In particular, we strengthen the idea that linear in T specific heat is linked to low energy diffusive modes resulting from fundamental symmetries, and that a BP excess can be induced in crystals either by gapped optical-like modes and/or by anharmonic diffusive (Akhiezer) damping.

Guided wave propagating in a 1-D hexagonal piezoelectric quasi-crystal plate

In the context of Bak’s model, guided waves in a 1-D hexagonal piezoelectric quasi-crystal plate are investigated by applying the Legendre polynomial method. Three cases of quasi-periodic directions are discussed. The dispersion curves, phonon, and phason displacement distributions are illustrated. Some new wave phenomena are revealed: The phase velocity of Lamb wave phason modes decreases as the phonon–phason coupling parameters, $$R_{i}$$ , increase. Phason displacements and the electric potential have consistent distributions with those of phonon displacement components in the quasi-periodic direction. These obtained results lay the theoretical basis for the design and optimization of piezoelectric devices.

Guided Wave Propagation in Functionally Graded One-Dimensional Hexagonal Quasi-Crystal Plates

ABSTRACTDue to the high brittleness, cracks, holes, and other defects that are easily generated in quasi-crystal structures can affect safe applications in serious cases. For guided wave non-destructive testing, the propagation of Lamb and SH waves in functionally graded one-dimensional hexagonal quasi-crystal plates are investigated. Governing equations of wave motion in the context of Bak’s model are deduced and solved by the Legendre orthogonal polynomial method. Dispersion curves, phonon and phason displacement, and stress distributions are illustrated. The convergence of the present method applied to functionally graded quasi-crystal plates is verified. Moreover, the influences of the phonon-phason coupling effect and graded fields on wave characteristics are analyzed. Some new results are obtained: angular frequencies of phason modes always decrease as phonon-phason coupling coefficients, Ri, increase; and phonon and phason displacements of Lamb and SH waves at high frequencies are mainly distributed in the region that contains more quasi-crystal material with a smaller elasticity modulus and less rigidity. The obtained results establish the theoretical foundation of guided wave non-destructive testing for functionally graded quasi-crystal plates.

Phonons in twisted transition-metal dichalcogenide bilayers: Ultrasoft phasons and a transition from a superlubric to a pinned phase

The tunability of the interlayer coupling by twisting one layer with respect to another layer of two-dimensional materials provides a unique way to manipulate the phonons and related properties. We refer to this engineering of phononic properties as "Twistnonics". We study the effects of twisting on low-frequency shear (SM) and layer breathing (LBM) modes in transition metal dichalcogenide (TMD) bilayer using atomistic classical simulations. We show that these low-frequency modes are extremely sensitive to twist and can be used to infer the twist angle. We find unique "ultra-soft" phason modes (frequency $\lesssim 1\ \mathrm{cm^{-1}}$, comparable to acoustic modes) for any non-zero twist, corresponding to an \textit{effective} translation of the moir{\'e} lattice by relative displacement of the constituent layers in a non-trivial way. Unlike the acoustic modes, the velocity of the phason modes is quite sensitive to twist angle. As twist angle decreases, ($\theta \lesssim 3^{\circ},\ \gtrsim 57^{\circ}$) the ultra-soft modes represent the acoustic modes of the "emergent" soft moir{\'e} scale lattice. Also, new high-frequency SMs appear, identical to those in stable bilayer TMD ($\theta = 0\degree/60\degree$), due to the overwhelming growth of stable stacking regions in relaxed twisted structures. Furthermore, we find remarkably different structural relaxation as $\theta \to 0^{\circ}$, $\to 60^{\circ}$ due to sub-lattice symmetry breaking. Our study reveals the possibility of an intriguing $\theta$ dependent superlubric to pinning behavior and of the existence of ultra-soft modes in \textit{all} two-dimensional (2D) materials.

Dimension transcendence and anomalous charge transport in magnets with moving multiple- Q spin textures

Multiple-$Q$ spin textures, such as magnetic bubble and skyrmion lattices, can be driven into motion by external stimuli. The motion of spin textures affects the electronic states. Here we show that to describe correctly the electronic dynamics, the momentum space needs to be transcended to higher dimensions by including the ancillary dimensions associated with phason modes of the translational motion of the spin textures. The electronic states have non-trivial topology characterized by the first and second Chern numbers in the high dimensional hybrid momentum space. This gives rise to an anomalous electric charge transport due to the motion of spin textures. By deforming the spin textures, a nonlinear response associated with the second Chern number can be induced. The charge transport is derived from the semi-classical equation of motion of electrons that depends on the Berry curvature in the hybrid momentum space. Our results suggest that the motion of multiple-$Q$ spin textures has significant effects on the electronic dynamics and provides a new platform to explore high dimensional topological physics.

Moiré-pattern fluctuations and electron-phason coupling in twisted bilayer graphene

In twisted bilayer graphene, long-wavelength lattice fluctuations on the scale of the moir\'e period are dominated by phason modes, i.e., acoustic branches of the incommensurate lattice resulting from coherent superpositions of optical phonons. In the limit of small twist angles, these modes describe the sliding motion of stacking domain walls separating regions of partial commensuration. The resulting soliton network is a soft elastic manifold, whose reduced rigidity arises from the competition between intralayer (elastic) and interlayer (adhesion) forces governing lattice relaxation. Shear deformations of the beating pattern dominate the electron-phason coupling to the leading order in ${t}_{\ensuremath{\perp}}/t$, the ratio between interlayer and intralayer hopping parameters. This coupling lifts the layer degeneracy of the Dirac cones at the corners of the moir\'e Brillouin zone, which could explain the observed fourfold (instead of eightfold) Landau level degeneracy. Electron-phason scattering gives rise to a linear-in-temperature contribution to the resistivity that increases with decreasing twist angle due to the reduction of the stiffness of the soliton network. This contribution alone, however, seems to be insufficient to explain the huge enhancement of the resistivity of the normal state close to the magic angle.

Control of wave propagation response using quasi crystals: A formulation based on spectral finite element

ABSTRACTThis paper presents wave propagation studies in quasi crystal structures and quasi crystal reinforced aluminium structures. The analysis is performed using frequency domain spectral finite element formulation. The analysis considers different 2-D decagonal and 3-D icosahedral quasi crystals. First, wave propagation analysis of quasi crystal structure alone is performed and the propagation of phonon and phason modes for different quasi crystals are studied. The study includes the propagation of axial and transverse wave responses in these quasi crystals. The study has found that the amplitude of the phason modes is very small compared to the phonon modes and the increase of the phason mode content (through increase in R) increases the phason mode amplitude, without affecting the phonon mode amplitudes. It is shown that the dominant axial phonon mode is non-dispersive and the dominant flexural phonon mode is dispersive. In the next study, the aluminium beam structure is reinforced with different quasi crystals in different configurations and the wave propagation of axial and transverse responses are studied. For all the combinations of quasi crystal aluminium beam combination, there is substantial suppression of responses both for the axial and the bending responses. Unsymmetrical configuration produces substantial non-dominant phonon modes which propagate dispersively. It is found that for a symmetric bi-morph configuration, the response is reduced significantly, about 68% and 75% for axial loading and 80% and 78% for flexural loading, respectively, for the 2-D decagonal quasi crystal and the 3-D icosahedral quasi crystal.

Atomic structures of the Sc–Zn and R–Cd icosahedral quasicrystals

We present the refinement results of atomic structures of binary icosahedral (i) ScZn7.3, GdCd7.9, DyCd7.5 and TmCd7.3 quasicrystals (QCs) [1, 2] and the study of phason modes. Bragg peak intensiti ...

Detection of phonon and phason modes in intrinsic colloidal quasicrystals by reconstructing their structure in hyperspace

Phasons are additional degrees of freedom which occur in quasicrystals alongside the phonons known from conventional periodic crystals. The rearrangements of particles that are associated with a phason mode are hard to interpret in physical space. We reconstruct the quasicrystal structure by an embedding into extended higher-dimensional space, where phasons correspond to displacements perpendicular to the physical space. In dislocation-free decagonal colloidal quasicrystals annealed with Brownian dynamics simulations, we identify thermal phonon and phason modes. Finite phononic strain is pinned by phasonic excitations even after cooling down to zero temperature. For the phasonic displacements underlying the flip pattern, the reconstruction method gives an approximation within the limits of a multi-mode harmonic ansatz, and points to fundamental limitations of a harmonic picture for phasonic excitations in intrinsic colloidal quasicrystals.

Atomic structure and phason modes of the Sc-Zn icosahedral quasicrystal

The detailed atomic structure of the binary icosahedrali-ScZn7.33 quasicrystal has been investigated by means ofhigh-resolution synchrotron single-crystal Xraydiffraction and absolute scale measure ...

Atomic structure and phason modes of the Sc-Zn icosahedral quasicrystal.

The detailed atomic structure of the binary icosahedral (i) ScZn7.33 quasicrystal has been investigated by means of high-resolution synchrotron single-crystal X-ray diffraction and absolute scale measurements of diffuse scattering. The average atomic structure has been solved using the measured Bragg intensity data based on a six-dimensional model that is isostructural to the i-YbCd5.7 one. The structure is described with a quasiperiodic packing of large Tsai-type rhombic triacontahedron clusters and double Friauf polyhedra (DFP), both resulting from a close-packing of a large (Sc) and a small (Zn) atom. The difference in chemical composition between i-ScZn7.33 and i-YbCd5.7 was found to lie in the icosahedron shell and the DFP where in i-ScZn7.33 chemical disorder occurs on the large atom sites, which induces a significant distortion to the structure units. The intensity in reciprocal space displays a substantial amount of diffuse scattering with anisotropic distribution, located around the strong Bragg peaks, that can be fully interpreted as resulting from phason fluctuations, with a ratio of the phason elastic constants K 2/K 1 = -0.53, i.e. close to a threefold instability limit. This induces a relatively large perpendicular (or phason) Debye-Waller factor, which explains the vanishing of 'high-Q perp' reflections.

Wave propagation of phonon and phason displacement modes in quasicrystals: Determination of wave parameters

The paper presents the study of wave propagation in quasicrystals. Our interest is in the computation of the wavenumber (kn) and group speed (cg) of the phonon and phason displacement modes of one, two, and three dimensional quasicrystals. These wave parameter expressions are derived and computed using the elasto-hydrodynamic equations for quasicrystals. For the computation of the wavenumber and group speeds, we use Fourier transform approximation of the phonon and the phason displacement modes. The characteristic equations obtained are a polynomial equation of the wavenumber (kn), with frequency as a parameter. The corresponding group speeds (cg) for different frequencies are then computed from the wavenumber kn. The variation of wavenumber and group speeds with frequency is plotted for the 1-D quasicrystal, 2-D decagonal Al-Ni-Co quasicrystals, and 3-D icosahedral Al-Pd-Mn and Zn-Mg-Sc quasicrystals. From the wavenumber and group speeds plots, we obtain the cut-off frequencies for different spatial wavenumber ηm. The results show that for 1-D, 2-D, and 3-D quasicrystals, the phonon displacement modes are non-dispersive for low values of ηm and becomes dispersive for increasing values of ηm. The cut-off frequencies are not observed for very low values of ηm, whereas the cut-off frequency starts to appear with increasing ηm. The group speeds of the phason displacement modes are orders of magnitude lower than that of the phonon displacement modes, showing that the phason modes do not propagate, and they are essentially the diffusive modes. The group speeds of the phason modes are also not influenced by ηm. The group speeds for the 2-D quasicrystal at 35 kHz is also simulated numerically using Galerkin spectral finite element methods in frequency domain and is compared with the results obtained using wave propagation analysis. The effect of the phonon and phason elastic constants on the group speeds is studied using 3-D icosahedral Al-Pd-Mn and Zn-Mg-Sc quasicrystals. It is also shown that the phason elastic constants and the coupling coefficient do not affect the group speeds of the phonon displacement modes.