• openAccess   Disclosing the nature of vacancy defects in α-Ag2WO4 

      Assis, Marcelo de; Castro, M. S.; Aldao, C. M.; Buono, C.; Ortega, P. P.; Teodoro, M. D.; Andres, Juan; Gouveia, Amanda; Simões, Alexandre; Longo, Elson; Macchi, C. E.; Somoza, Alberto; Moura, F.; Ponce, Miguel Adolfo Elsevier (2023-08)
      Defects at semiconductors with electron acceptor and donor sites govern the electronic and optoelectronic applications due to their unique electronic properties. This work provides deep insight into the nature of defects and ...
    • 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 the energetic, morphological, and photoluminescence properties of CaZrO3:Eu3+ 

      Carvalho de Oliveira, Marisa; Ribeiro, Renan; Gracia, Lourdes; de Lazaro, Sergio Ricardo; Assis, Marcelo de; Oliva, Mónica; Rosa, Ieda; Do Carmo Gurgel, Maria Fernanda; Longo, Elson; Andres, Juan Royal Society of Chemistry (2018)
      In this study, we present a combined experimental and theoretical study of the geometry, electronic structure, morphology, and photoluminescence properties of CaZrO3:Eu3+ materials. The polymeric precursor method was ...
    • closedAccess   Insight into the Effects of Fe Addition on the Local Structure and Electronic Properties of SrTiO3 

      Da Silva, Luis F.; M’Peko, Jean Claude; Andres, Juan; Beltran, Armando; Gracia, Lourdes; Bernardi, Maria Inês B.; Mesquita, Alexandre; Antonelli, Eduardo; Moreira, Mario Lucio; Mastelaro, Valmor Roberto American Chemical Society (2014-01)
      This paper reports an experimental and theoretical investigation of the effects of adding Fe to the perovskite strontium titanate SrTiO3. The effects include changes in the short-order range structure as well as in the ...