Lattice Dynamical Calculations for Li1+xTi2-xO4 (x=0.33) and Li1-yMgyTi2O4 (y=0.1, 0.3)
A.K. Kushwaha
Department of Physics, K.N. Govt. P.G. College, Gyanpur, Bhadohi-221304, India
Received: October 10, 2012; In final form: April 24, 2013
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Zone-centre Raman and infrared phonon frequencies for the spinel phases of oxides Li1+xTi2-xO4 (x=0.33) and Li1-yMgyTi2O4 (y=0.1, 0.3) of space group Fd3m have been calculated using a proposed short-range force constant model. In this model, the lattice potential energy is expanded using Taylor's expansion in the harmonic approximation. The calculated zone-centre phonon frequencies are in good agreement with the available experimental and previously calculated results.

DOI: 10.12693/APhysPolA.124.695
PACS numbers: 63.20.-e