Joint experimental and theoretical study of PbGa 2 S 4 under compression

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-a...

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Published inJournal 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, Cuenca-Gotor, Vanesa Paula, Osman, Hussien H., Popescu, Catalin, Ursaki, Veaceslav, Tiginyanu, Ion M., Errandonea, Daniel, Manjón, Francisco Javier
Format Journal Article
LanguageEnglish
Published 31.08.2023
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Abstract 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.
AbstractList 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.
Author Popescu, Catalin
Gallego-Parra, Samuel
Rodrigo-Ramon, José Luis
Manjón, Francisco Javier
Garcia-Sanchez, Tania
Errandonea, Daniel
Osman, Hussien H.
Rodriguez-Hernandez, Plácida
Muñoz, Alfonso
Gonzalez-Platas, Javier
Liang, Akun
Sans, Juán Ángel
Ursaki, Veaceslav
Cuenca-Gotor, Vanesa Paula
Tiginyanu, Ion M.
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  givenname: Juán Ángel
  orcidid: 0000-0001-9047-3992
  surname: Sans
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  givenname: Hussien H.
  surname: Osman
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Snippet The effect of pressure on the structural, vibrational, and optical properties of lead thiogallate, PbGa 2 S 4 , crystallizing under room conditions in the...
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