Kopsavilkums
A six-parameter bond-bending force constant model is used to calculate the zone-center (Γ = 0) Raman and infrared phonon mode frequencies, elastic constants and related properties, the Debye temperatures, and sound velocities along high-symmetry directions for A2SiO4 (A = Mg, Fe, Ni, and Co) spinels. The main outcomes of the calculations are that the interactions between Si and O atoms (first-neighbor interaction) are stronger than those between A and Oatoms (A = Mg, Fe, Ni, and Co) (second-neighbor interaction). The elastic constants C11, C12, and C44 decrease in the order Mg > Fe > Ni > Co. The calculated bulk modulus, Poisson's ratio, and anisotropy decrease in the sequence Fe2SiO4 → Ni2SiO4 → Co2SiO4 → Mg2SiO4. On comparison, we find overall good agreement with the available experimental and previously calculated data.
| Oriģinālvaloda | Angļu |
|---|---|
| Lapas (no-līdz) | 167-172 |
| Lapu skaits | 6 |
| Žurnāls | Journal of Physics and Chemistry of Solids |
| Sējums | 117 |
| DOIs | |
| Publikācijas statuss | Publicēts - jūn. 2018 |
| Ārēji publicēts | Jā |
Nospiedums
Uzziniet vairāk par pētniecības tēmām “Vibrational and elastic properties of silicate spinels A2SiO4 (A = Mg, Fe, Ni, and Co)”. Kopā tie veido unikālu nospiedumu.Citēt šo
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