In order to find out the details of microscopic structure of incommensurate (IC) phase in quartz, we studied numerically the time correlation in the atomic motion and the static pattern of the structure at different temperatures. The analysis of temperature dependence of the numerical data revealed...
SiO2 surfaces and aerogels Figure 4 tests the ability of the potential to accurately predict surface energies. We begin with validation for different α-quartz surfaces: we created surface slab models, relaxed them with the ACE potential, and evaluated the energetics, and therefore the surface energ...
The constant-volume specific heat, the entropy, the phonon contributions to internal energy and Helmholtz free energy, and the atomic temperature factors of α-quartz and stishovite, two allotropic forms of SiO 2 , are calculated as a function of temperature from ab initio phonon band structures...
where x, y, and z denote the coordinates of the T-point in the reference coordinate system with O as the origin, μ denotes the scattering width of the incident ion energy perpendicular to the incidence direction, and σ denotes the scattering width parallel to the incidence direction. Figure...
In this paper, the PEALD technology was used to prepare a high-purity Sn-doped Ga2O3 film on quartz and Si substrates. The results from X-ray photoelectron spectroscopy (XPS) show the effects of Sn doping on the chemical bonding characteristics and the chemical composition of the obtained ...