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This paper presents ab inition calculations of the surface phonon spectra of GeSe layered semiconductor compound, based on the Density Functional Perturbation Theory (DFPT). The surface has been imitated by a structure of periodically arranged slabs of two layers of GeSe crystal separated from other identical layers by the layers of vacuum sufficiently wide to ignore the effect of the upper boundary of the double-layer upon its lower boundary. We discuss the character of the surface modes located in the gaps, in the pockets, and in the area of allowed phonon states for the bulk GeSe crystals, as well as outside (above and below) the boundaries of the bulk phonon states.
Understanding microscopic heat conduction in thin films is important for nano/micro heat transfer and thermal management for advanced electronics. As the thickness of thin films is comparable to or shorter than a phonon wavelength, phonon dispersion
Two-dimensional (2D) surface of the topological materials is an attractive channel for the electrical conduction reflecting the linearly-dispersive electronic bands. By applying a reliable systematic thickness t dependent measurement of sheet conduct
We report experiments to determine the effect of radiation damage on the phonon spectra of the most common nuclear fuel, UO$_2$. We have irradiated thin ($sim$ 300 nm) epitaxial films of UO$_2$ with 2.1 MeV He$^{2+}$ ions to 0.15 dpa and a lattice sw
Graphene is a 2D material that displays excellent electronic transport properties with prospective applications in many fields. Inducing and controlling magnetism in the graphene layer, for instance by proximity of magnetic materials, may enable its
The use of oxide materials in oxide electronics requires their controlled epitaxial growth. Recently, it was shown that Reflection High Energy Electron Diffraction (RHEED) allows to monitor the growth of oxide thin films even at high oxygen pressure.