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| Citation: | Sun Wang, Li Liangsheng, Zhang Jing, Yin Hongcheng. Theoretical and Experimental Study on the Permittivity of CdTe in the Terahertz Band[J]. Journal of Radars, 2018, 7(1): 67-74. doi: 10.12000/JR17096
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Theoretical and Experimental Study on the Permittivity of CdTe in the Terahertz Band
DOI: 10.12000/JR17096
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Abstract
The phonon dispersion spectrum, eigenvector, and lattice vibration frequency of cadmium telluride with a zinc blende structure have been investigated using the density functional theory, and the permittivity of cadmium telluride crystal is numerically calculated. The permittivity of the crystal is measured using the terahertz time-domain spectroscopy system. The experimental results are consistent with the theoretical calculations on the modified local density approximation, the general gradient approximation, and the modified general gradient approximation. Finally, the differences among the three approximate exchange correlation potentials indicate that in the terahertz region, the permittivity of cadmium telluride is dominantly contributed by the coupling between electron and phonon; however, the phonon frequencies of transverse wave and longitudinal wave were sensitive to electron density distribution. -
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References
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- Figure 1. The crystal structure of CdTe: The red spheres indicate Te atoms. The blue spheres indicate Cd atoms. The green arrow indicates the direction of crystal major axis
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Figure 2. The total energy vs the cut-off energy. The black arrow indicates the value of GGA cut-off energy
$E_{\rm{c}}^{{\rm{PBE/PW91}}}{\rm{ = }}680 \ {{\rm{eV}}} $ $E_{\rm{c}}^{{\rm{LDA}}}{\rm{ = }}1225\ {\rm eV} $ - Figure 3. The total energy as a function of k-point. Black arrows indicate the selected k-point
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Figure 4. The total energy (calculated by LDA, GGA-PBE, and GGA-PW91 methods) vs the test lattice constant. The black arrow indicates the minimum of total energy, where
$a_{{\rm{LDA}}}^{{\rm{CA {^{\scriptsize{-}}} PZ}}} = 0.64424 \ {\rm{nm}}$ - Figure 5. Phonon dispersions of CdTe with three exchange correlations LDA, PBE, PW91
- Figure 6. Schematic diagram: the phonon wave vectors are parallel (a), (d) and perpendicular (b), (c) to directions of atomic vibration. (a)-(b) the phonon wave vectors are parallel to the direction of CdTe principal axis. (c)-(d) The phonon wave vectors are parallel to the y-axis direction. Black arrows indicate the direction of atomic vibration. Green arrows indicate the direction of phonon propagation
- Figure 7. Schematic diagram of full-air terahertz experimental system. β-BBO is type I barium borate, PM is an off-axis parabolic mirror, HV is a high-voltage modulator, and PMT is a photomultiplier tube
- Figure 8. The results of theoretical calculations and experimental measurements