[EN] We report the formation of an ultrahigh CO2-loaded pure-SiO2, silicalite-1 structure at high pressure (0.7 GPa) from the interaction of empty zeolite and fluid CO, medium. The CO2-filled structure was characterized ...
Sans-Tresserras, Juan Ángel; Vilaplana Cerda, Rosario Isabel; Da Silva, E. Lora; Popescu, Catalin; Cuenca-Gotor, Vanesa Paula; Andrada-Chacón, Adrián; Sánchez-Benitez, Javier; Gomis, O.; Pereira, André L. J.; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Daisenberger, Dominik; García-Domene, Braulio; Segura, Alfredo; Errandonea, Daniel; Manjón, Francisco-Javier(American Chemical Society, 2020-07-20)
[EN] High pressure X-ray diffraction, Raman scattering, and electrical measurements, together with theoretical calculations, which include the analysis of the topological electron density and electronic localization function, ...
[EN] alpha(R)-In2Se3 has been experimentally and theoretically studied under compression at room temperature by means of X-ray diffraction and Raman scattering measurements as well as by ab initio total-energy and ...
The compression process in the α-phase of europium trimolybdate was revised employing
several experimental techniques. X-ray diffraction (using synchrotron and laboratory radiation
sources), Raman scattering and ...
Errandonea, Daniel; Gomis, O.; Santamaría Pérez, David; García-Domene, B.; Muñoz, Alfonso; Rodríguez-Hernández, Plácida; Achary, S. N.; Tyagi, A. K.; Popescu, Catalin(American Institute of Physics (AIP), 2015-03-14)
We have studied the structural behavior of bismuth phosphate under compression. We performed x-ray powder diffraction measurements up to 31.5 GPa and ab initio calculations. Experiments were carried out on different ...
The high-pressure crystal structure, lattice-vibrations HP crystal structure, lattice vibrations, and band , and electronic band structure of BiSbO4 were studied by ab initio simulations. We also performed Raman spectroscopy, ...
[EN] We report a joint experimental and theoretical study of the lattice dynamics of cubic Tb2O3. Up to 16 optical Raman-active modes have been observed with polarized and unpolarized Raman scattering measurements on a ...
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 ...
Santamaría Pérez, David; Bandiello, Enrico; Errandonea, Daniel; Ruiz-Fuertes, Javier; Gomis Hilario, Oscar; Sans, Juan Ángel; Manjón Herrera, Francisco Javier; Rodríguez-Hernández, Plácida; Muñoz, Alfonso(American Chemical Society, 2013-06-13)
We have performed an experimental study of the crystal structure, lattice dynamics, and optical properties of silver chromate (Ag2CrO4) at ambient temperature and high pressures. In particular, the crystal structure, ...
Pereira, A. L. J.; Gomis, O.; Sans, J. A.; Pellicer-Porres, J.; Manjón Herrera, Francisco Javier; Beltran, A.; Rodríguez-Hernández, Plácida; Muñoz, Alfonso(IOP Publishing: Hybrid Open Access, 2014-06)
We report an experimental and theoretical high-pressure study of the vibrational properties of synthetic monoclinic bismuth oxide (alpha-Bi2O3), also known as mineral bismite. The comparison of Raman scattering measurements ...
[EN] This joint experimental and theoretical study of the structural and vibrational properties of beta-In2S3 upon compression shows that this tetragonal defect spinel undergoes two reversible pressure-induced order¿disorder ...
Compresed BiTeBr has been studied from a joint experimental and theoretical perspective. Room-temperature
x-ray diffraction, Raman scattering, and transport measurements at high pressures have been performed in this
layered ...
[EN] The structural and vibrational properties of nanocrystalline yttrium orthoaluminate perovskite (YAlO3) under compression have been experimentally studied. Experimental results have been compared to ab initio simulations ...
[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 ...
Gallego-Parra, Samuel; Gomis, O.; Vilaplana Cerda, Rosario Isabel; Ortiz, H.M.; Perez-Gonzalez, E.; Luna Molina, Ramón; Rodríguez-Hernández, Plácida; MUÑOZ, ALFONSO; URSAKI, VEACHESLAV; TIGINYANU, IVAN; Manjón, Francisco-Javier(American Institute of Physics, 2019-03-21)
[EN] Raman scattering measurements have been performed in cadmium digallium sulphide (CdGa2S4) with defect chalcopyrite structure up to 25 GPa in order to study its pressure-induced phase transitions. These measurements ...