Motivated by new experimental structural and ion conductivity studies, we computationally examine this family of materials, finding Na4P2S6 and its modification ...
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Here, we investigate the effect of hydrostatic pressure on the structure of CuInP2S6 single crystals through a detailed Raman spectroscopy study. Analysis of ...
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Nine Raman active modes of Ag and Bg symmetry are clearly observed and assigned by probing different scattering channels, which is confirmed by lattice dynamics ...
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Sep 15, 2020 · Our goal is to find the symmetry of all degrees of freedom, and then determine which are vibrations that are IR- and Raman-active. STEP 1: Find ...
Because the spinel structure has an inversion symmetry element, the active modes are mutually exclusive. Thus, the vibrational modes are either infrared- or ...
Jan 22, 2024 · Table 1 shows the computed frequencies of Raman-active vibrational modes of Na3PS4 ( P 4 ¯ 2 1 c , ICSD No. 121566) calculated by different ...
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