| Summary: | 碩士 === 淡江大學 === 物理學系碩士班 === 96 === We use first-principles to begin the simulation on the microwave dielectric material La(Mg1/2,Ti1/2)O3. In our calculations, we use the Density-Functional Perturbation Theory and linear response method to get the phonons at Γ point.
And then, we make a few experimental observations like Raman spectrum and FTIR spectrum on the microwave dielectric material La(Mg1/2,Ti1/2)O3. According to our calculations, the calculated eigenvalues and corresponding eigenvectors of each vibration mode at
Γ point provide a great help on assignment of our experimental observations.
Finally, we use the Lorentz model to study the relation between vibration modes and dielectric properties on the microwave dielectric material La(Mg1/2,Ti1/2)O3.
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