Abstract

Using first-principles calculation method, we have investigated the zone-center phonon modes, dielectric and transport properties of the LiNbO3-type CdPbO3. The results show that the relatively large peaks of infrared (IR) and Raman spectra mainly come from the [Formula: see text] and [Formula: see text] modes, respectively. The dielectric constant calculations reveal that this compound is positive uniaxial crystal and has the large dielectric constants. By investigating the electric transport properties using gold as electrode, the interesting negative differential resistance (NDR) effect can be observed, which reveals this compound should have important application in semiconducting electronic devices.

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