Sans-Tresserras, Juan Ángel; Manjón, F. J.; Popescu, C.; Muñoz, A.; Rodríguez-Hernández, P.; Jordá, J. L.; Rey Garcia, Fernando(IOP Publishing, 2016-11-30)
This study reports the experimental characterization of the hydrostatic properties of arsenolite
(As4O6), a molecular solid which is one of the softest minerals in the absence of hydrogen
bonding. The high compressibility ...
Pereira, A. L. J.; Gomis, O.; Sans Tresserras, Juan Ángel; Contreras-García, J.; Manjón Herrera, Francisco Javier; Rodríguez-Hernández, P.; Muñoz, A.; Beltrán, A.(American Physical Society, 2016-06-30)
We report a joint experimental and theoretical study of the optical properties of tetragonal bismuth oxide (beta-Bi2O3) at high pressure by means of optical absorption measurements combined with ab initio electronic band ...
Santamaría Pérez, David; Gomis Hilario, Oscar; Sans, Juan Ángel; Ortiz, H. M.; Vegas, Ángel; Errandonea, Daniel; Ruiz-Fuertes, Javier; Martínez-García, Domingo; García-Domene, B.; Pereira, ALJ; Manjón Herrera, Francisco Javier; Rodríguez-Hernández, Placida; Muñoz, A.; Piccinelli, F.; Bettinelli, M.; Popescu, C.(American Chemical Society, 2014-02-27)
The structural properties of calcite-type orthoborates ABO(3) (A = Al, Fe, Sc, and In) have been investigated at high pressures up to 32 GPa. They were studied experimentally using synchrotron powder X-ray diffraction and ...
[EN] A reliable multi-residue method for determining gaseous and particulate phase pesticides in atmospheric samples has been developed. This method, based on full scan gas chromatography-mass spectrometry (GC-MS), allowed ...
Monteseguro, V.; Rodríguez-Hernández, P.; Lavín, V.; Manjón Herrera, Francisco Javier; Muñoz, A.(American Institute of Physics (AIP), 2013-05-14)
In this paper, we present an ab initio study within the framework of density functional theory employing the generalized gradient approximation applied to the study of the structural, elastic, and electronic properties of ...
High-pressure optical absorption measurements have been performed in defect chalcopyrite HgGa2Se4 to investigate the influence of pressure on the bandgap energy and its relation with the pressure-induced order-disorder ...
Garcia Domene, Braulio; Ortiz, H. M.; Gomis Hilario, Oscar; Sans, J. A.; Manjón Herrera, Francisco Javier; Muñoz, A.; Rodríguez-Hernández, P.; Achary, S. N.; Errandonea, D.; Martínez-García, D.; Romero, A. H.; Singhal, A.; Tyagi, A. K.(American Institute of Physics (AIP), 2012-12-19)
The effect of pressure on the vibrational properties of bulk and nanocrystallinepowders of cubic bixbyite-type In2O3 has been investigated at room temperature by means of Raman spectroscopy up to 31.6 and 30¿GPa, respectively. ...
High-pressure Raman-scattering measurements and ab initio calculations on NdVO4 have been carried out up
to 30 GPa. Our combined experimental and theoretical study confirms that beyond 5.9 GPa NdVO4 undergoes
an irreversible ...
Errandonea, D.; Manjón Herrera, Francisco Javier; Muñoz, A.; Rodríguez-Hernández, P.; Panchal, V.; Achary, S. N.; Tyagi, A. K.(Elsevier, 2013-11-15)
Raman measurements on TbVO4 show the occurrence of three pressure-induced phase transitions. The first one, an irreversible transition from the zircon to the scheelite structure, occurs beyond 6.7 GPa. In addition, two ...
Raman scattering measurements and lattice-dynamics calculations were performed on magnesium tungstate (MgWO 4) under high pressure up to 41 GPa. Experiments were carried out on a selection of pressure media. The influence ...
Gomis, O.; Santamaría-Pérez, D.; Ruiz-Fuertes, J.; Sans, J. A.; Vilaplana Cerda, Rosario Isabel; Ortiz, H. M.; García-Domene, B.; Manjón Herrera, Francisco Javier; Errandonea, D.; Rodríguez-Hernández, P.; Muñoz, A.; Mollar García, Miguel Alfonso(American Institute of Physics (AIP), 2014-10-07)
The structural properties of Thallium (III) oxide (Tl2O3) have been studied both experimentally and theoretically under compression at room temperature. X-ray powder diffraction measurements up to 37.7 GPa have been ...
[EN] Monazite-type BiPO4, LaPO4, CePO4, and PrPO4 have been studied under high pressure by ab initio simulations and Raman spectroscopy measurements in the pressure range of stability of the monazite structure. A good ...
[EN] Zircon-type holmium phosphate (HoPO4) and thulium phosphate (TmPO4) have been studied by single-crystal x-ray diffraction and ab initio calculations. We report on the influence of pressure on the crystal structure, ...
Bi2Se3, Bi2Te3, and Sb2Te3 are narrow bandgap semiconductors with tetradymite crystal structure (R-3m) which have been extensively studied along with their alloys due to their promising operation as thermoelectric materials ...
We report results of experimental and theoretical lattice-dynamics studies on scandium orthovanadate up to 35 GPa. Raman-active modes of the low-pressure zircon phase are measured up to 8.2 GPa, where the onset of an ...
HgWO 4 at ambient pressure is characterized using a combination of ab initio calculations, X-ray diffraction and Raman scattering measurements. The effect of low pressure and temperature on the structural stability is ...
We report an experimental and theoretical lattice dynamics study of bismuth telluride (Bi2Te3) up to 23 GPa together with an experimental and theoretical study of the optical absorption and reflection up to 10 GPa. The ...
Gomis, O.; Ortiz, H. M.; Sans Tresserras, Juan Ángel; Manjón Herrera, Francisco Javier; Santamaría-Pérez, D.; Rodríguez-Hernández, P.; Muñoz, A.(Elsevier, 2016-11)
We have theoretically investigated the elastic properties of calcite-type orthoborates ABO(3) (A= Sc and In) at high pressure by means of ab initio total-energy calculations. From the elastic stiffness coefficients, we ...
González, J.; Galindo, C.; Fernández, J. A.; Blanco, J.L.; Muñoz, A.; Arévalo, V.(Universitat Politècnica de València, 2008-04-09)
[ES] El número de personas con problemas de movilidad está creciendo en los últimos años en los países desarrollados, como consecuencia de una mayor esperanza de vida y del gran número de accidentes de tráfico. La posibilidad ...
We report an experimental and theoretical lattice dynamics study of antimony telluride (Sb 2Te 3) up to 26 GPa together with a theoretical study of its structural stability under pressure. Raman-active modes of the ...