Joint experimental and theoretical study of PbGa2S4 under compression

• Published in: Journal of materials chemistry. C, Materials for optical and electronic devices Vol. 11; no. 34; pp. 11606 - 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, Vanesa Paula Cuenca-Gotor, Osman, Hussien H, Popescu, Catalin, Ursaki, Veaceslav, Tiginyanu, Ion M, Errandonea, Daniel, Manjón, Francisco Javier
• Format: Journal Article
• Language: English
• Published: Cambridge Royal Society of Chemistry 28.07.2023; The Royal Society of Chemistry
• Subjects: Cadmium sulfide; Chemistry; Gallium sesquisulfide; High pressure; Mathematical analysis; Optical properties; Pressure effects; Raman spectra
• ISSN: 2050-7526; 2050-7534
• DOI: 10.1039/d3tc02288a

The effect of pressure on the structural, vibrational, and optical properties of lead thiogallate, PbGa2S4, crystallizing under room conditions in the orthorhombic EuGa2S4-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′-Ga2S3, CdGa2S4, and HgGa2S4. Evidence of a partially reversible pressure-induced decomposition of PbGa2S4 into a mixture of Pb6Ga10S21 and Ga2S3 above 15 GPa is reported. Thus, our measurements and calculations show a route for the high-pressure synthesis of Pb6Ga10S21, which is isostructural to the stable Pb6In10S21 compound at room pressure.