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Vibrational and elastic properties of silicate spinels A2SiO4 (A = Mg, Fe, Ni, and Co)

  • A. K. Kushwaha*
  • , C. G. Ma
  • , M. G. Brik
  • , S. Akbudak
  • *Šī darba korespondējošais autors
  • K.N. Govt. P.G. College
  • Chongqing University of Posts and Telecommunications
  • University of Verona
  • University of Tartu
  • Jan Dlugosz University in Czestochowa
  • Adiyaman University

Zinātniskās darbības rezultāts: Devums žurnālamZinātniskais raksts (žurnālā)koleģiāli recenzēts

4 Atsauces (Scopus)

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.

OriģinālvalodaAngļu
Lapas (no-līdz)167-172
Lapu skaits6
ŽurnālsJournal of Physics and Chemistry of Solids
Sējums117
DOIs
Publikācijas statussPublicēts - jūn. 2018
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