• closedAccess   Chemical Bond Formation and Rupture Processes: An Application of DFT-Chemical Pressure Approach 

      Osman, Hussien H .; Andres, Juan; Salvadó, Miguel A.; Recio, José Manuel American Chemical Society (2018-08)
      Very recently, we have analyzed the nature of chemical interactions in a wide variety of molecules and materials using the chemical pressure (CP) approach. We have shown how this newly developed formalism can be used to ...
    • openAccess   Electrons, holes, and excitons in GaAs polytype quantum dots 

      Climente, Juan I.; Segarra, Carlos; Rajadell Viciano, Fernando; Planelles, Josep American Institute of Physics (2016)
      Single and multi-band k⋅p Hamiltonians for GaAs crystal phase quantum dots are used to assess ongoing experimental activity on the role of such factors as quantum confinement, spontaneous polarization,valence band mixing, ...
    • openAccess   Evidence for the formation of metallic In after laser irradiation of InP 

      Cabral, Luís; Andres, Juan; Machado, Thales Rafael; Picinin, Adalberto; Rino, José Pedro; Lopez-Richard, Victor; Longo, Elson; Gouveia, Amanda; Marques, Gilmar Eugenio; da Silva, Edison; San-Miguel, Miguel A. AIP Publishing (2019-07-12)
      Structural and electronic changes induced by laser irradiation are currently of interest owing to the possibility to tune the mechanical, optical, and transport properties of the irradiated materials. In this work, we ...