Cuenca-Gotor, Vanesa Paula; Sans-Tresserras, Juan Ángel; Gomis, O.; Mujica, Andres; Radescu, Silvana; Muñoz, Alfonso; Rodríguez-Hernández, Plácida; Da Silva, Estelina Lora; Popescu, Catalin; Ibañez, Jordi; Vilaplana Cerda, Rosario Isabel; Manjón, Francisco-Javier(The Royal Society of Chemistry, 2020-02-14)
[EN] We report a joint experimental and theoretical study of the structural, vibrational, and electronic properties of layered monoclinic arsenic sulfide crystals (a-As2S3), aka mineral orpiment, under compression. X-ray ...
IBAÑEZ, JORDI; Sans-Tresserras, Juan Ángel; Cuenca-Gotor, Vanesa Paula; OLIVA, R.; Gomis, O.; Rodríguez-Hernández, Plácida; MUÑOZ, A.; Rodriguez-Mendoza, U.R.; Velazquez, M.; Veber, P.; Popescu, Catalin; Manjón, Francisco-Javier(American Chemical Society, 2020-07-20)
[EN] We report a joint experimental and theoretical investigation of the high pressure structural and vibrational properties of terbium sesquioxide (Tb2O3). Powder X-ray diffraction and Raman scattering measurements show ...
[EN] In this work we study the pressure behaviour of the orpiment (monoclinic) and anorpiment (triclinic) layered structures of As2S3 by means of ab initio calculations performed within the density functional theory, as ...
Sans-Tresserras, Juan Ángel; Manjón, Francisco-Javier; Pereira, Andre Luis de Jesus; Ruiz-Fuertes, Javier; Popescu, Catalin; Muñoz, Alfonso; Rodríguez-Hernández, Plácida; Pellicer-Porres, Julio; Cuenca-Gotor, Vanesa Paula; Contreras-García, Julia; Ibañez, Jordi; Monteseguro, Virginia(Royal Society of Chemistry, 2021-04-28)
[EN] The structural, vibrational and electronic properties of the compressed ß-Sb2O3 polymorph, a.k.a. mineral valentinite, have been investigated in a joint experimental and theoretical study up to 23 GPa. The compressibility ...