Joint experimental and theoretical study of PbGa2S4 under compression†
a
Samuel
Gallego-Parra,
‡b
Akun
Liang,
§c
Alfonso
Muñoz,
d
Plácida
Rodriguez-Hernandez,
d
Javier
Gonzalez-Platas,
d
Juán Ángel
Sans,
b
Vanesa Paula
Cuenca-Gotor,
b
Catalin
Popescu,
e
Veaceslav
Ursaki,
f
Ion M.
Tiginyanu,
f
Daniel
Errandonea
c
and
Francisco Javier
Manjón
b
Abstract
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.
- This article is part of the themed collection: #MyFirstJMCC
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