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Browsing by Author "Muñoz, Alfonso"

Now showing items 1-20 of 41

Anomalous Raman modes in tellurides

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, ...
Broadband, site selective and time resolved photoluminescence spectroscopic studies of finely size-modulated Y2O3:Eu3+ phosphors synthesized by a complex based precursor solution method

Ray, Sudeshna; León-Luis, Sergio Fabián; Manjón Herrera, Francisco Javier; Mollar García, Miguel Alfonso; Gomis Hilario, Oscar; Rodríguez-Mendoza, Ulises Ruyman; Agouram, Said; Muñoz, Alfonso; Lavín, Victor (Elsevier, 2014-01)

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 ...
Characterization and Decomposition of the Natural van der Waals SnSb2Te4 under Compression

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, ...
Combined Experimental and Theoretical Studies: Lattice-Dynamical Studies at High Pressures with the Help of Ab Initio Calculations

Manjón, Francisco-Javier; Sans-Tresserras, Juan Ángel; Rodríguez-Hernández, Placida; Muñoz, Alfonso (MDPI AG, 2021-11)

[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 ...
Crystal Chemistry of CdIn2S4, MgIn2S4, and MnIn2S4 thiospinels under high pressure

Santamaría Pérez, David; Amboage, Mónica; Manjón Herrera, Francisco Javier; Errandonea, Daniel; Muñoz, Alfonso; Rodríguez Hernández, Plácida; Mújica, Andrés; Radescu, Silvana; Ursaki, Veacheslav; Tinginyanu, Ivan (American Chemical Society, 2012-07-05)

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 ...
Crystal structure of HgGa2Se4 under compression

Gomis Hilario, Oscar; Vilaplana Cerda, Rosario Isabel; Manjón, F.J.; Santamaría Pérez, David; Errandonea, Daniel; Pérez González, Eduardo; López Solano, Javier; Rodríguez Hernández, Plácida; Muñoz, Alfonso; Tiginyanu, Ion Mijail; Ursaki, Veaceslav Vladimir (Elsevier, 2013)

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 ...
Crystal structure of sinhalite MgAlBO4 under high pressure

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 ...
Effect of pressure on La-2(WO4)(3) with a modulated scheelite-type structure

Sabalisck, N.P.; Lopez Solano, Javier; Guzmán-Afonso, C.; Santamaría Pérez, David; González-Silgo, C.; Mújica, Andrés; Muñoz, Alfonso; Rodríguez Hernández, Plácida; Radescu, Silvana; Vendrell, X.; Mestres, L.; Sans Tresserras, Juan Ángel; Manjón Herrera, Francisco Javier (American Physical Society, 2014-05-27)

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 ...
Elastic and thermodynamic properties of alpha-Bi2O3 at high pressures: Study of mechanical and dynamical stability

Gomis, O.; Manjón, Francisco-Javier; Rodríguez-Hernández, Plácida; MUÑOZ, ALFONSO (Elsevier, 2019-01)

[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 ...
Experimental and theoretical investigations on structural and vibrational properties of melilite-type Sr2ZnGe2O7 at high pressure and delineation of a high pressure monoclinic phase

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 ...
Experimental and theoretical investigations on the polymorphism and metastability of BiPO4

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 ...
Experimental and Theoretical Studies on alfa-In2Se3 at High Pressure

Vilaplana Cerda, Rosario Isabel; Gallego-Parra, Samuel; Jorge-Montero, A.; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Errandonea, Daniel; Segura, Alfredo; Manjón, Francisco-Javier (American Chemical Society, 2018)

[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 ...
Experimental and Theoretical Study of Bi2O2Se Under Compression

Pereira, A.L.J.; Santamaría Pérez, David; Ruiz Fuertes, Javier; Manjón, Francisco-Javier; Cuenca Gotor, Vanesa Paula; Vilaplana Cerda, Rosario Isabel; Gomis, O.; Popescu, Catalin; Muñoz, Alfonso; Rodríguez-Hernández, Plácida; Segura, Alfredo; Gracia, L.; Beltran, A.; Ruleova, P.; Drasar, C.; Sans-Tresserras, Juan Ángel (American Chemical Society, 2018-04-26)

[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 ...
Experimental and Theoretical Study of SbPO4 under Compression

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 ...
Exploring the high-pressure behavior of the three known polymorphs of BiPO4: Discovery of a new polymorph

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 ...
High pressure phase transitions in NdVO4

Panchal, V.; Errandonea, Daniel; Manjón Herrera, Francisco Javier; Muñoz, Alfonso; Rodríguez Hernández, Plácida; Bettinelli, Marco; Achary, S.N.; Tyagi, A.K. (AIP Publishing, 2015)

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 ...
High-pressure crystal structure, lattice vibrations, and band structure of BiSbO4

Errandonea, Daniel; Muñoz, Alfonso; Rodríguez-Hernández, Plácida; Gomis, O.; Achary, S. Nagabhusan; Popescu, Catalin; Patwe, Sadeque J.; Tyagi, Avesh J. (American Chemical Society, 2016-05-16)

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 and vibrational properties of CdGa2Se4: Order-disorder processes in adamantine compounds

Gomis Hilario, Oscar; Vilaplana Cerda, Rosario Isabel; Manjón Herrera, Francisco Javier; Pérez-González, E.; López-Solano, Javier; Rodríguez-Hernández, P.; Muñoz, Alfonso; Errandonea, Daniel; Ruiz Fuertes, Javier; Segura Garcia del Rio, Alfredo; Santamaría Pérez, David; Tiginyanu, Ivan; Ursaki, Veacheslav (American Institute of Physics (AIP), 2012-01-10)

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 ...
High-pressure Raman scattering study of defect chalcopyrite and defect stannite ZnGa2Se4

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 ...
High-pressure Raman study of Fe(IO3)3: Soft-mode behavior driven by coordination changes of iodine atoms

Liang, Akun; Rahman, Saqib; Rodriguez-Hernandez, Placida; Muñoz, Alfonso; Manjón, Francisco-Javier; Nenert, Gwilherm; Errandonea, Daniel (American Chemical Society, 2020-10-01)

[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 ...