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In-plane thermal conduction and phonon transport in both single-crystalline and polycrystalline Si two-dimensional phononic crystal (PnC) nanostructures were investigated at room temperature. The impact of phononic patterning on thermal conductivity was larger in polycrystalline Si PnCs than in single-crystalline Si PnCs. The difference in the impact is attributed to the difference in the thermal phonon mean free path (MFP) distribution induced by grain boundary scattering in the two materials. Grain size analysis and numerical simulation using the Monte Carlo technique indicate that grain boundaries and phononic patterning are efficient phonon scattering mechanisms for different MFP length scales. This multiscale phonon blocking structure covers a large part of the broad distribution of thermal phonon MFPs and thus efficiently reduces thermal conduction.
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Hexagonal boron nitride (h-BN), one of the hallmark van der Waals (vdW) layered crystals with an ensemble of attractive physical properties, is playing increasingly important roles in exploring two-dimensional (2D) electronics, photonics, mechanics, and emerging quantum engineering. Here, we report on the demonstration of h-BN phononic crystal waveguides with designed pass and stop bands in the radio frequency (RF) range and controllable wave propagation and transmission, by harnessing arrays of coupled h-BN nanomechanical resonators with engineerable coupling strength. Experimental measurements validate that these phononic crystal waveguides confine and support 15 to 24 megahertz (MHz) wave propagation over 1.2 millimeters. Analogous to solid-state atomic crystal lattices, phononic bandgaps and dispersive behaviors have been observed and systematically investigated in the h-BN phononic waveguides. Guiding and manipulating acoustic waves on such additively integratable h-BN platform may facilitate multiphysical coupling and information transduction, and open up new opportunities for coherent on-chip signal processing and communication via emerging h-BN photonic and phononic devices.
The coherent quantum effect becomes increasingly important in the heat dissipation bottleneck of semiconductor nanoelectronics with the characteristic size shrinking down to few nano-meters scale nowadays. However, the quantum mechanical model remains elusive for anharmonic phonon-phonon scattering in extremely small nanostructures with broken translational symmetry. It is a long-term challenging task to correctly simulate quantum heat transport including anharmonic scattering at a scale relevant to practical applications. In this article, we present a clarified theoretical formulation of anharmonic phonon non-equilibrium Green function (NEGF) formalism for both 1D and 3D nanostructures, through a diagrammatic perturbation expansion and an introduction of Fourier representation to both harmonic and anharmonic terms. A parallelized computational framework with first-principle force constants input is developed for large-scale quantum heat transport simulation. Some crucial approximations in numerical implementation are investigated to ensure the balance between numerical accuracy and efficiency. A quantitative validation is demonstrated for the anharmonic phonon NEGF formalism and computational framework by modeling cross-plane heat transport through silicon thin film. The phonon-phonon scattering is shown to be appreciable and to introduce about 20% reduction of thermal conductivity at room temperature even for a film thickness around 10 nm. The present methodology provides a robust platform for the device quantum thermal modeling, as well as the study on the transition from coherent to incoherent heat transport in nano-phononic crystals. This work thus paves the way to understand and to manipulate heat conduction via the wave nature of phonons.
Topological phases, including the conventional first-order and higher-order topological insulators and semimetals, have emerged as a thriving topic in the fields of condensed-matter physics and material science. Usually, a topological insulator is characterized by a fixed order topological invariant and exhibits associated bulk-boundary correspondence. Here, we realize a new type of topological insulator in a bilayer phononic crystal, which hosts simultaneously the first-order and second-order topologies, referred here as the hybrid-order topological insulator. The one-dimensional gapless helical edge states, and zero-dimensional corner states coexist in the same system. The new hybrid-order topological phase may produce novel applications in topological acoustic devices.
The thermoelectric properties of n type nanoscale three dimensional (3D) Si phononic crystals (PnCs) with spherical pores are studied. Density functional theory and Boltzmann transport equation under the relaxation time approximation are applied to study the electronic transport coefficients, electrical conductivity, Seebeck coefficient and electronic thermal conductivity. We found that the electronic transport coefficients in 3D Si PnC at room temperature (300 K) change very little compared with that of Si, for example, electrical conductivity and electronic thermal conductivity is decreased by 0.26 to 0.41 and 0.39 to 0.55 depending on carrier concentration, respectively, and the Seebeck coefficient is similar to that of bulk Si. However, the lattice thermal conductivity of 3D Si PnCs with spherical pores is decreased by a factor of 500 calculated by molecular dynamics methods, leading to the ZT of 0.76, which is about 30 times of that of porous Si. This work indicates that 3D Si PnC is a promising candidate for high efficiency thermoelectric materials.
Artificial honeycomb lattices with Dirac cone dispersion provide a macroscopic platform to study the massless Dirac quasiparticles and their novel geometric phases. In this paper, a quadruple-degenerate state is achieved at the center of Brillouin zone (BZ) in a two-dimensional honeycomb lattice phononic crystal, which is a result of accidental degeneracy of two double-degenerate states. In the vicinity of the quadruple-degenerate state, the dispersion relation is linear. Such quadruple degeneracy is analyzed by rigorous representation theory of groups. Using method, a reduced Hamiltonian is obtained to describe the linear Dirac dispersion relations of such quadruple-degenerate state, which is well consistent with the simulation results. Near such accidental degeneracy, we observe some unique wave propagating properties, such as defect insensitive propagating character and Talbot effect.
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