Da Silva, Estelina Lora; Skelton, J. M.; Rodríguez-Hernández, P.; Muñoz, A.; Santos, M. C.; Martínez-García, D.; Vilaplana Cerda, Rosario Isabel; Manjón, Francisco-Javier(The Royal Society of Chemistry, 2022-10-20)
[EN]
We report a comparative theoretical study of the Pnma and R3m phases of Sb2S3, Bi2S3, and Sb2Se3 close to ambient pressure. Our enthalpy calculations at 0 K show that at ambient pressure the R3m (tetradymite-like) ...
A pressure-induced phase transition, associated with an increase of the coordination number of In and Ta, is detected beyond 13 GPa in InTaO4 by combining synchrotron x-ray diffraction and Raman measurements in a diamond-anvil ...
Gallego-Parra, Samuel; Vilaplana Cerda, Rosario Isabel; Gomis, O.; Lora da Silva, E.; Otero-de-la-Roza, A.; Rodríguez-Hernández, P.; Muñoz, A.; González, J.; Sans-Tresserras, Juan Ángel; Cuenca-Gotor, Vanesa Paula; Ibáñez, J.; Popescu, C.; Manjón, Francisco-Javier(The Royal Society of Chemistry, 2021-03-21)
[EN] We report a joint experimental and theoretical study of the low-pressure phase of ¿¿-Ga2S3 under compression. Theoretical ab initio calculations have been compared to X-ray diffraction and Raman scattering measurements ...
Cuenca Gotor, Vanesa Paula; Gomis, O.; Sans-Tresserras, Juan Ángel; Manjón Herrera, Francisco Javier; Rodríguez Hernández, P.; Muñoz, A.(AIP Publishing, 2016-10)
The formation of a new compound with stoichiometry As4O62He at relatively low pressure
(3 GPa) has been recently reported when arsenolite (As4O6) powder is compressed with helium as a
pressure-transmitting medium. In ...