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The (Cd, Be)Te semiconductor alloy that exhibits a dramatic mismatch in bondcovalency and stiffness clarifying its vibrational and mechanical properties isused as a benchmark to test the limits of the percolation model (PM) worked outto explain the complex Raman spectra of the related but less contrasted (Zn,Be) chalcogenides. The test is done by way of experiment (x smaller than 0.11)combining Raman scattering with X ray diffraction at high pressure and abinitio calculations (x around 0, 0.5 and 1). The (macroscopic) bulk modulus Bdrops below the CdTe value on minor Be incorporation, at variance with a linearB versus x increase predicted ab initio, thus hinting at large anharmoniceffects in the real crystal. Yet, no anomaly occurs at the microscopic (bond)scale as the regular bimodal PM Raman signal predicted ab initio for the BeTebond in minority (x around 0 and 0.5) is (barely) detected experimentally.Although at large Be content (x around 1) the same bimodal signal relaxes downto inversion, an unprecedented case, specific pressure dependencies of theregular (x around 0 and 0.5) and inverted (x around 1) BeTe Raman doublets arein line with PM predictions. Hence, the PM applies as such to (Cd, Be)Te albeitin a relaxed form, without further refinement. This enhances the schemevalidity as a generic descriptor of phonons in alloys.

Vibrational and mechanical properties of the highly mismatched (Cd,Be)Te semiconductor alloy : Experiment and ab initio calculations