Joint experimental and theoretical study of PbGaS under compression

• Published in: Journal of materials chemistry. C, Materials for optical and electronic devices Vol. 11; no. 34; pp. 1166 - 11619
• Main Authors: Garcia-Sanchez, Tania, Gallego-Parra, Samuel, Liang, Akun, Rodrigo-Ramon, José Luis, Muñoz, Alfonso, Rodriguez-Hernandez, Plácida, Gonzalez-Platas, Javier, Sans, Juán Ángel, Cuenca-Gotor, Vanesa Paula, Osman, Hussien H, Popescu, Catalin, Ursaki, Veaceslav, Tiginyanu, Ion M, Errandonea, Daniel, Manjón, Francisco Javier
• Format: Journal Article
• Published: 31.08.2023
• ISSN: 2050-7526; 2050-7534
• DOI: 10.1039/d3tc02288a

The effect of pressure on the structural, vibrational, and optical properties of lead thiogallate, PbGa 2 S 4 , crystallizing under room conditions in the orthorhombic EuGa 2 S 4 -type structure (space group Fddd ), is investigated. The results from X-ray diffraction, Raman scattering, and optical-absorption measurements at a high pressure beyond 20 GPa are reported and compared not only to ab initio calculations, but also to the related compounds α′-Ga 2 S 3 , CdGa 2 S 4 , and HgGa 2 S 4 . Evidence of a partially reversible pressure-induced decomposition of PbGa 2 S 4 into a mixture of Pb 6 Ga 10 S 21 and Ga 2 S 3 above 15 GPa is reported. Thus, our measurements and calculations show a route for the high-pressure synthesis of Pb 6 Ga 10 S 21 , which is isostructural to the stable Pb 6 In 10 S 21 compound at room pressure. The effect of pressure on the structural, vibrational, and optical properties of lead thiogallate, PbGa 2 S 4 , crystallizing under room conditions in the orthorhombic EuGa 2 S 4 -type structure (space group Fddd ), is investigated.