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Listar por autor "Da Silva, Estelina Lora"

RiuNet: Repositorio Institucional de la Universidad Politécnica de Valencia

Listar por autor "Da Silva, Estelina Lora"

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    A theoretical study of the Pnma and R3m phases of Sb2S3, Bi2S3, and Sb2Se3 
    Da Silva, Estelina Lora; Skelton, J. M.; Rodríguez-Hernández, P.; Muñoz, A.; Santos, M. C.; Martínez-García, D.; Vilaplana Cerda, Rosario Isabel; Manjón, Francisco-Javier (The Royal Society of Chemistry, 2022-10-20)
    [EN] We report a comparative theoretical study of the Pnma and R3m phases of Sb2S3, Bi2S3, and Sb2Se3 close to ambient pressure. Our enthalpy calculations at 0 K show that at ambient pressure the R3m (tetradymite-like) ...
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    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, ...
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    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 ...
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    Layered topological semimetal GaGeTe: New polytype with non-centrosymmetric structure 
    Gallego-Parra, Samuel; Bandiello, Enrico; Liang, A.; Da Silva, E. Lora; Rodriguez-Hernandez, P.; Muñoz, A.; Radescu, S.; Romero, A.H.; Drasar, C.; Errandonea, D.; Manjón, Francisco-Javier (Elsevier, 2022-12)
    [EN] GaGeTe is a layered van der Waals material composed of germanene and GaTe sublayers that has been recently predicted to be a basic Z2 topological semimetal. To date, only one polytype of GaGeTe is known with trigonal ...
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    Theoretical Study of Pressure-Induced Phase Transitions in Sb2S3, Bi2S3, and Sb2Se3 
    Da Silva, Estelina Lora; Santos, Mario C.; Rodríguez-Hernández, Plácida; Muñoz, Alfonso; Manjón, Francisco-Javier (MDPI AG, 2023-03)
    [EN] We report an ab initio study of Sb2S3, Sb2Se3, and Bi2S3 sesquichalcogenides at hydrostatic pressures of up to 60 GPa. We explore the possibility that the C2/m, C2/c, the disordered Im-3m, and the I4/mmm phases observed ...