Surface Phonon Polariton Modes in Suspended Monolayer Hexagonal Boron Nitrides

Dispersion properties and characteristics of transverse magnetic (TM) and transverse electric (TE) surface phonon polaritons (SPhP) in suspended monolayer hexagonal boron nitrides (hBN) was studied extensively. The analytical results show that the hBN based TM (TE) phonon polaritons exist in restsrahlen bands when imaginary surface conductivity is positive. The effective mode index of TM phonon polaritons is much higher than that of TE phonon polaritons with respective values of ~3000 and ~1.0002 which makes TM SPhP more promising in the practical realization. In addition, the propagation length of TE SPhP is less lossy and surpass that of TM SPhP by factor of 104. This study compares these important properties and sheds more insight into their applications in optical communications, photonics and optoelectronics devices.

Reproducible validation and replication studies in nanoscale physics

Credibility building activities in computational research include verification and validation, reproducibility and replication, and uncertainty quantification. Though orthogonal to each other, they are related. This paper presents validation and replication studies in electromagnetic excitations on nanoscale structures, where the quantity of interest is the wavelength at which resonance peaks occur. The study uses the open-source software PyGBe : a boundary element solver with treecode acceleration and GPU capability. We replicate a result by Rockstuhl et al. (2005, doi:10/dsxw9d) with a two-dimensional boundary element method on silicon carbide (SiC) particles, despite differences in our method. The second replication case from Ellis et al. (2016, doi:10/f83zcb) looks at aspect ratio effects on high-order modes of localized surface phonon-polariton nanostructures. The results partially replicate: the wavenumber position of some modes match, but for other modes they differ. With virtually no information about the original simulations, explaining the discrepancies is not possible. A comparison with experiments that measured polarized reflectance of SiC nano pillars provides a validation case. The wavenumber of the dominant mode and two more do match, but differences remain in other minor modes. Results in this paper were produced with strict reproducibility practices, and we share reproducibility packages for all, including input files, execution scripts, secondary data, post-processing code and plotting scripts, and the figures (deposited in Zenodo). In view of the many challenges faced, we propose that reproducible practices make replication and validation more feasible. This article is part of the theme issue ‘Reliability and reproducibility in computational science: implementing verification, validation and uncertainty quantification in silico ’.

High Surface Phonon-Polariton in-Plane Thermal Conductance along Coupled Films

Surface phonon-polaritons (SPhPs) are evanescent electromagnetic waves that can propagate distances orders of magnitude longer than the typical mean free paths of phonons and electrons. Therefore, they are expected to be powerful heat carriers capable of significantly enhancing the in-plane thermal conductance of polar nanostructures. In this work, we show that a SiO2/Si (10 μm thick)/SiO2 layered structure efficiently enhances the SPhP heat transport, such that its in-plane thermal conductance is ten times higher than the corresponding one of a single SiO2 film, due to the coupling of SPhPs propagating along both of its polar SiO2 nanolayers. The obtained results thus show that the proposed three-layer structure can outperform the in-plane thermal performance of a single suspended film while improving significantly its mechanical stability.