A new approach to Hg1−XCdxTe: Syntheses, crystal and band structures, and optical properties

A new synthetic approach with the advantage of low cost and facile operation, which is characterized by using Hg(CN)2 as starting material, has been successfully established for the preparation of Hg1−XCdxTe (MCT) materials with different x values, especially the Hg rich MCT. Three new compounds, namely Hg0.90Cd0.10Te (1), Hg0.32Cd0.68Te (2) and Hg0.29Cd0.71Te (3), have been synthesized, respectively. These compounds possess sphalerite structures with the space group F-43m. Their optical properties were investigated in terms of the diffuse reflectance and Fourier transform infrared spectra. Electronic band structures along with density of states (DOS) calculated by DFT method indicate that the present compounds belong to direct semiconductors and their optical absorptions are mainly originated from the charge transitions from Te-5p to Cd-5s and Hg-6s states.

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