[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 ...
Gallego-Parra, Samuel; Vilaplana Cerda, Rosario Isabel; Gomis, O.; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; González, Jesus Antonio; Sans-Tresserras, Juan Ángel; Popescu, Catalin; Manjón, Francisco-Javier(American Chemical Society, 2022-07-12)
[EN] The synthesis of polymorphs of alpha '-Ga2S3 at room temperature on compression/decompression is studied from a joint experimental and theoretical point of view to reveal the nature of their crystalline structures. ...
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 ...
[EN] The present study gives a general outline for the fluid-dynamical calculation of flows at high pressure conditions. The main idea is to present a mathematical description of high pressure processes in liquids at ...
Marí-Guaita, Julia; Gallego-Parra, Samuel; Sans-Tresserras, Juan Ángel; Velázquez, M.; Veber, Phillipe; Rodríguez-Hernández, P.; Manjón, Francisco-Javier; Muñoz, A.(Elsevier, 2021-08-05)
[EN] In this study, we report an experimental investigation of (Gd1-xYbx)(2)O-3 under high pressure by means of Raman scattering measurements complemented with ab initio calculations in pure Gd2O3. Raman spec-troscopy of ...
Azevedo, C.D.R.; Gonzalez-Diaz, D.; Biagi, S. F.; Oliveira, C. A. B.; Henriques, C. A. O.; Escada, J.; Monrabal, F.; Gomez-Cadenas, J. J.; Álvarez-Puerta, Vicente; Alvarez, V.; Esteve Bosch, Raul; Herrero Bosch, Vicente; Mora Mas, Francisco José; Querol-Segura, Marc; Rodriguez-Samaniego, Javier; Toledo Alarcón, José Francisco(Elsevier, 2018)
[EN] We introduce a simulation framework for the transport of high and low energy electrons in xenon-based optical time projection chambers (OTPCs). The simulation relies on elementary cross sections (electron-atom and ...
Manjón Herrera, Francisco Javier; Gomis Hilario, Oscar; Vilaplana Cerda, Rosario Isabel; Sans Tresserras, Juan Ángel; Ortiz, H. M.(Wiley-VCH Verlag, 2013-08)
Adamantine ternary ordered-vacancy compounds (OVCs) of the AB(2)X(4) family derive from the zincblende structure of binary AX compounds and share many properties with the chalcopyrite-type ternary ABX(2) compounds. AB(2)X(4) ...
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 ...
[EN] The effects of high pressure on the crystal
structure of orthorhombic (Pnma) perovskite-type cerium
scandate were studied in situ under high pressure by means of
synchrotron X-ray powder diffraction, using a ...
[EN] Research on topological and topological crystalline insulators (TCIs) is one of the most intense and exciting topics due to its fascinating fundamental science and potential technological applications. Pressure (strain) ...
Ruiz Fuertes, Javier; Gomis, O.; León Luis, S. F.; Schrodt, N.; Manjón Herrera, Francisco Javier; Ray, Sudeshna; Santamaría Pérez, David; Sans Tresserras, Juan Ángel; Ortiz, H. M.; Errandonea, Daniel; Ferrer Roca, Chantal; Segura, A.; Martínez García, Domingo; Lavin, V.; Rodríguez Mendoza, U. R.; Muñoz, A.(IOP Publishing: Hybrid Open Access, 2016-01-15)
A structural transformation from the zircon-type structure to an amorphous phase has been found in YVO4:Eu3+ nanoboxes at high pressures above 12.7 GPa by means of x-ray diffraction measurements. However, the pair distribution ...
[EN] This paper reports a joint experimental and theoretical study of the electronic band structure of two ordered-vacancy compounds with defect-chalcopyrite structure: CdGa2S4 and HgGa2S4. High-pressure optical-absorption ...
[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 ...
Manjón, Francisco-Javier; Sans-Tresserras, Juan Ángel; Ibáñez, Jordi; Pereira, André Luis de Jesús(MDPI AG, 2019-12)
[EN] Pressure is an important thermodynamic parameter, allowing the increase of matter density by reducing interatomic distances that result in a change of interatomic interactions. In this context, the long range in which ...
We have studied CaWO4 under compression using Ne as pressure-transmitting medium at room temperature by means of synchrotron X-ray powder diffraction. We have found that CaWO4 beyond 8.8 GPa transforms from its low-pressure ...
Ardid Ramírez, Miguel; Bou Cabo, Manuel; Camarena Femenia, Francisco; Espinosa Roselló, Víctor; Larosa, Giuseppina; Llorens Alvarez, Carlos David; Martínez Mora, Juan Antonio(Elsevier, 2011-01-11)
[EN] In this paper we present a possible solution for the acoustic positioning system of KM3NeT, a future very large undersea neutrino telescope. The system consists of an array of budget-priced acoustic transducers that ...
Vilaplana Cerda, Rosario Isabel; Gomis Hilario, Oscar; Manjón Herrera, Francisco Javier; Rodríguez-Hernández, P.; Muñoz, Alfonso; Errandonea, Daniel; Achary, S.N.; Tyagi, A.K.(American Institute of Physics (AIP), 2012-11-21)
High-pressure Raman scattering measurements have been performed in wulfenite (PbMoO4) for both bulk and nanocrystalline powders up to 22 GPa. Our Raman scattering measurements evidence the phase transition from the tetragonal ...
Vilaplana Cerda, Rosario Isabel; Sans Tresserras, Juan Ángel; Manjón Herrera, Francisco Javier; Andrada-Chacón, A.; Sánchez-Benitez, J.; Popescu, C.; Gomis, O.; Pereira, A. L. J.; García-Domene, B.; Rodríguez-Hernández, P.; Muñoz, A.; Daisenberger, D.; Oeckler, O.(Elsevier, 2016-11-15)
We report high-pressure X-ray diffraction and electrical measurements of the topological insulator SnBi2Te4 at room temperature. The pressure dependence of the structural properties of the most stable phase of SnBi2Te4 at ...