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Abstract Due to their simple structure (two bond species randomly arranged on a cubic lattice), the zincblende A1−xBxC semiconductor alloys (zb-SCA) set a benchmark to explore how physical properties are impacted by disorder. A longstanding controversy was whether the lattice dynamics (phonons), governed by the bond force constant, i.e., a local physical property, is blind to the alloy disorder or actually sees it. Over the past two decades, we introduced the percolation model (PM) that distinguishes between like bonds depending on whether they vibrate in same (homo) or alien (hetero) environments (1-bond → 2-mode scheme). The PM seems to apply universally among zb-SCA, and hence would solve the controversy in favor of the second scenario. Here our aim is to take one step forward and complete in the main lines a PM-based taxonomy of high-pressure vibration spectra of zb-SCA. This might clarify how a disordered atomic alloy, seen by each bond species in terms of a homo/hetero composite (i.e., at the unusual mesoscopic scale) from the angle of the PM, behaves when the lattice shrinks under hydrostatic pressure. We focus on Cd1−xZnxTe as the last sensitive pending case. This tidying-up exercise is attractive at the fundamental level and useful for projecting phonon-based devices involving zb-SCA.

Abstract The emerging CdTe–BeTe semiconductor alloy that exhibits a dramatic mismatch in bond covalency and bond stiffness clarifying its vibrational-mechanical properties is used as a benchmark to test the limits of the percolation model (PM) worked out to explain the complex Raman spectra of the related but less contrasted Zn1−xBex-chalcogenides. The test is done by way of experiment ( $$x\le 0.11$$ x ≤ 0.11 ), combining Raman scattering with X-ray diffraction at high pressure, and ab initio calculations ( $$x$$ x ~ 0–0.5; $$x$$ x ~1). The (macroscopic) bulk modulus $${B}_{0}$$ B 0 drops below the CdTe value on minor Be incorporation, at variance with a linear $${B}_{0}$$ B 0 versus $$x$$ x increase predicted ab initio, thus hinting at large anharmonic effects in the real crystal. Yet, no anomaly occurs at the (microscopic) bond scale as the regular bimodal PM-type Raman signal predicted ab initio for Be–Te in minority ( $$x$$ x ~0, 0.5) is barely detected experimentally. At large Be content ( $$x$$ x ~1), the same bimodal signal relaxes all the way down to inversion, an unprecedented case. However, specific pressure dependencies of the regular ( $$x$$ x ~0, 0.5) and inverted ( $$x$$ x ~1) Be–Te Raman doublets are in line with the predictions of the PM. Hence, the PM applies as such to Cd1−xBexTe without further refinement, albeit in a “relaxed” form. This enhances the model’s validity as a generic descriptor of phonons in alloys.

Water and ammonia are major constituents of icy planet interiors, however their phase behaviour under extreme conditions remain relatively unknown. Here, the authors show that ammonia monohydrate transforms under pressure into an alloy composed of molecules as well as ions, owing to a topological frustration.