| Autor: |
A. Elmahjoubi, M. B. Shoker, O. Pagès, V. J. B. Torres, A. Polian, A. V. Postnikov, C. Bellin, K. Béneut, C. Gardiennet, G. Kervern, A. En Naciri, L. Broch, R. Hajj Hussein, J.-P. Itié, L. Nataf, S. Ravy, P. Franchetti, S. Diliberto, S. Michel, A. Abouais, K. Strzałkowski |
| Jazyk: |
angličtina |
| Rok vydání: |
2023 |
| Předmět: |
|
| Zdroj: |
Scientific Reports, Vol 13, Iss 1, Pp 1-11 (2023) |
| Druh dokumentu: |
article |
| ISSN: |
2045-2322 |
| DOI: |
10.1038/s41598-023-39248-6 |
| Popis: |
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. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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