• openAccess   Beta-Bi2O3 under compression: Optical and elastic properties and electron density topology analysis 

      Pereira, André L. J.; Gomis Hilario, Óscar; Sans, Juan A.; Contreras García, Julia; Manjón, F. J.; Rodríguez Hernández, P.; Muñoz, Alfonso; Beltran, Armando American Physical Society (2016-06)
      We report a joint experimental and theoretical study of the optical properties of tetragonal bismuth oxide (β−Bi2O3) at high pressure by means of optical absorption measurements combined with ab initio electronic band ...
    • openAccess   Experimental and Theoretical Study of Bi2O2Se Under Compression 

      Pereira, André L. J.; Santamaría Pérez, D.; Ruiz-Fuertes, J.; Manjón, F. J.; Cuenca-Gotor, V. P.; Vilaplana, Rosario; Gomis Hilario, Óscar; Popescu, Catalin; Muñoz, Alfonso; Rodríguez Hernández, P.; Segura García del Río, Alfredo; Gracia, Lourdes; Beltran, Armando; Ruleova, P.; Drasar, C.; Sans, Juan A. American Chemical Society (2018-04)
      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 between ...
    • openAccess   Experimental and theoretical study of SbPO4 under compression 

      De Jesus Pereira, André Luis; Santamaría Pérez, D.; Vilaplana, Rosario; Errandonea, Daniel; Popescu, Catalin; da Silva, Estelina Lora; Sans Tresserras, Juan Angel; Rodríguez-Carvajal, Juan; Muñoz, Alfonso; Rodríguez-Hernandez, Plácida; Mujica, Andres; Radescu, Silvana; Beltran, Armando; Otero de la Roza, Alberto; Nalin, Marcelo; Mollar, Miguel; Manjón, F. J. American Chemical Society (2019-12-26)
      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 linked ...
    • closedAccess   Isostructural Second-Order Phase Transition of β-Bi2O3 at High Pressures: An Experimental and Theoretical Study 

      Pereira, André L. J.; Sans, Juan A.; Villaplana, Rosario; Gomis Hilario, Óscar; Manjón, F. J.; Rodríguez Hernández, P.; Muñoz, Alfonso; Popescu, Catalin; Beltran, Armando American Chemical Society (2014-09)
      We report a joint experimental and theoretical study of the structural and vibrational properties of synthetic sphaerobismoite (β-Bi2O3) at high pressures in which room-temperature angle-dispersive X-ray diffraction (XRD) ...
    • openAccess   Structural and vibrational study of cubic Sb2O3 under high pressure 

      Pereira, André L. J.; Gracia, Lourdes; Santamaría Pérez, D.; Vilaplana, Rosario; Manjón, F. J.; Errandonea, Daniel; Nalín, M.; Beltran, Armando American Physical Society (2012)
    • openAccess   Structural study of α-Bi2O3 under pressure 

      Pereira, André L. J.; Errandonea, Daniel; Beltran, Armando; Gracia, Lourdes; Gomis Hilario, Óscar; Sans, Juan A.; García-Domene, B.; Miquel-Veyrat, A.; Manjón, F. J.; Muñoz, Alfonso; Popescu, Catalin IOP Publishing (2013)
      An experimental and theoretical study of the structural properties of monoclinic bismuth oxide (α-Bi2O3) under high pressures is here reported. Both synthetic and mineral bismite powder samples have been compressed up to ...