Xuecai Han, Yilin Tong, Jiaqi Bao, Kan Yu*
Chalcogenide Letters, Vol.23, No.1, 2026, DOI:10.32604/cl.2026.075604
- 26 January 2026
Abstract Chalcogenide glasses in the Ge-Se-Te system possess wide infrared transparency and strong optical nonlinearity, yet the microscopic origin of their vibrational behavior remains unclear. Using ab initio calculations, we analyzed Raman-active modes in GeSexTe4−x (x = 0–4) tetrahedra, edge-sharing tetrahedra, and ethane-like Ge2Se2xTe6−2x (x = 0–3) clusters. For GeSexTe4−x (x = 0–4) tetrahedra, the symmetric stretching vibrations exhibit two families: Ge-Se-dominated and Ge-Te-dominated modes, both showing monotonic redshifts as the number of same-type bonds increases. In edge-sharing tetrahedra, the Ge-Ch-Ge-Ch (Ch = Se or Te) four-membered-ring breathing frequency decreases with higher Te content, and a comparable softening is More >
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