Manjón, Francisco-Javier; Gallego-Parra, Samuel; Rodríguez Hernández, Plácida; Muñoz, Alfonso; Drasar, Cestmir; Muñoz-Sanjosé, Vicente; Oeckler, Oliver(The Royal Society of Chemistry, 2021-05-21)
[EN] Two anomalous broad bands are usually found in the Raman spectrum of bulk and 2D Te-based chalcogenides, which include binary compounds, like ZnTe, CdTe, HgTe, GaTe, GeTe, SnTe, PbTe, GeTe2, As2Te3, Sb2Te3, Bi2Te3, ...
Undoped and Eu3+-doped cubic yttria (Y2O3) nanophosphors of good crystallinity, with selective particle sizes ranging between 6 and 37 nm and showing narrow size distributions, have been synthesized by a complex-based ...
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] Lattice dynamics studies are important for the proper characterization of materials, since these studies provide information on the structure and chemistry of materials via their vibrational properties. These studies ...
We report X-ray diffraction measurements in CdIn2S4, MgIn2S4, and MnIn2S4 thiospinels at room temperature and high pressures. The pressure dependences of the structural parameters have been determined and compared to those ...
We report on high-pressure x-ray diffraction measurements up to 17.2 GPa in mercury digallium
selenide (HgGa2Se4). The equation of state and the axial compressibilities for the low-pressure tetragonal phase have been ...
Santamaría Pérez, David; Errandonea, Daniel; Gomis, O.; Sans Tresserras, Juan Ángel; Pereira, A. L. J.; Manjón Herrera, Francisco Javier; Popescu, Catalin; Rodríguez Hernández, Plácida; Muñoz, Alfonso(American Chemical Society, 2015-03-26)
We report on high-pressure angle-dispersive X-ray diffraction data up to 27 GPa for natural MgAlBO4 sinhalite mineral and ab initio total energy calculations. The experimental bulk modulus of sinhalite is B-0 = 171(3) GPa ...
We have studied the effect of pressure on the structural and vibrational properties of lanthanum tritungstate
La2(WO4)3. This compound crystallizes under ambient conditions in the modulated scheelite-type structure
known ...
[EN] The elastic and thermodynamic properties of the monoclinic polymorph of bismuth oxide (alpha-Bi2O3); aka mineral bismite, have been theoretically investigated both at room pressure and under hydrostatic compression ...
Achary, S. Nagabhusan; Errandonea, Daniel; Santamaría-Pérez, David; Gomis, O.; Patwe, Sadiqua J.; Manjón Herrera, Francisco Javier; Rodríguez Hernández, Plácida; Muñoz, Alfonso; Tyagi, Avesh Kumar(American Chemical Society, 2015-07-06)
We report a combined experimental and theoretical study of melilite-type germanate, Sr2ZnGe2O7, under compression. In situ high-pressure X-ray diffraction and Raman scattering measurements up to 22 GPa were complemented ...
Achary, S. N.; Errandonea, Daniel; Muñoz, Alfonso; Rodríguez Hernández, Plácida; Manjón Herrera, Francisco Javier; Krishna, P. S. R.; Patwe, S. J.; Grover, V.; Tyagi, A.(Royal Society of Chemistry, 2013)
In this work we report the metastability and the energetics of the phase transitions of three different polymorphs of BiPO4, namely trigonal (Phase-I, space group P3(1)21), monoclinic monazite-type (Phase-II, space group ...
[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 ...
[EN] We report a joint experimental and theoretical study of the structural, vibrational, elastic, optical, and electronic properties of the layered high-mobility semiconductor Bi2O2Se at high pressure. A good agreement ...
Pereira, André Luis de Jesus; Santamaria-Pérez, David; Vilaplana Cerda, Rosario Isabel; Errandonea, Daniel; Popescu, Catalin; Da Silva, Estelina Lora; Sans-Tresserras, Juan Ángel; Rodríguez-Carvajal, Juan; Muñoz, Alfonso; Rodríguez-Hernández, Plácida; Mujica, Andres; Radescu, Silvana Elena; Beltrán, Armando; Otero-de-la-Roza, Alberto; Nalin, Marcelo; Mollar García, Miguel Alfonso; Manjón, Francisco-Javier(American Chemical Society, 2020-01-06)
[EN] SbPO4 is a complex monoclinic layered material characterized by a strong activity of the nonbonding lone electron pair (LEP) of Sb. The strong cation LEP leads to the formation of layers piled up along the a axis 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 ...
Raman-scattering measurements on NdVO4
suggest a pressure-induced zircon to monazite phase transition beyond 5.9
GPa. The monazite phase undergoes a second phase transition to a yet unknown phase at 18.1 GPa. Lattice-dynamics ...
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, ...
High-pressure optical absorption and Raman scattering measurements have been performed in defect chalcopyrite (DC) CdGa2Se4 up to 22 GPa during two pressure cycles to investigate the pressure-induced order-disorder phase ...
Vilaplana Cerda, Rosario Isabel; Gomis Hilario, Oscar; Pérez-González, E.; Ortiz, H. M.; Manjón Herrera, Francisco Javier; Rodríguez-Hernández, P.; Muñoz, Alfonso; Alonso Gutiérrez, P.; Sanjuán, M.L.; Ursaki, Veacheslav; Tiginyanu, Ivan(American Institute of Physics (AIP), 2013-06-17)
High-pressure Raman scattering measurements have been carried out in ZnGa2Se4 for both tetragonal defect chalcopyrite and defect stannite structures. Experimental results have been compared with theoretical lattice dynamics ...
[EN] We report high-pressure Raman spectroscopy studies of Fe(IO3)(3) up to nearly 21 GPa that have been interpreted with the help of density functional theory calculations, which include the calculation of phonon dispersion ...