نتایج جستجو برای: phonon dispersion
تعداد نتایج: 76044 فیلتر نتایج به سال:
An ab initio quantum-mechanical theoretical framework is presented to compute the thermal properties of molecular crystals. The present strategy combines dispersion-corrected density-functional-theory (DFT-D), harmonic phonon dispersion, quasi-harmonic approximation to the lattice dynamics for thermal expansion and thermodynamic functions, and quasi-static approximation for anisotropic thermo-e...
In this paper, we study the phonon thermal properties of a ladder nanostructure in harmonic approximation. We present a model consisting of two infinite chains with different masses. Then, we investigate the effect of different masses on the phonon spectrum. Moreover, as a specific case, in the absence of the second neighbor interaction, we calculate the phonon density of states/modes. Finally...
Spatial charge distribution for biased semiconductors fundamentally differs from metals since they can allow inhomogeneous charge distributions due to penetration of the electric field, as observed in the classical Schottky junctions. Similarly, the electrostatics of the dielectric/semiconductor interface can lead to a carrier depletion or accumulation in the semiconductor side when under appli...
Silicon-on-insulator (SOI) technology has sparked advances in semiconductor and MEMs manufacturing and revolutionized our ability to study phonon transport phenomena by providing single-crystal silicon layers with thickness down to a few tens of nanometers. These nearly perfect crystalline silicon layers are an ideal platform for studying ballistic phonon transport and the coupling of boundary ...
The THz spectrum of density fluctuations, S(Q, ω), of vitreous GeO2 at ambient temperature was measured by inelastic x-ray scattering from ambient pressure up to pressures well beyond that of the known α-quartz to rutile polyamorphic (PA) transition. We observe significant differences in the spectral shape measured below and above the PA transition, in particular, in the 30-80 meV range. Guided...
Today our understanding of the vibrational thermodynamics ofmaterials at low temperatures is emerging nicely, based on the harmonic model in which phonons are independent. At high temperatures, however, this understanding must accommodate how phonons interact with other phonons or with other excitations. We shall see that the phonon-phonon interactions give rise to interesting coupling problems...
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