Browsing by Author "Muñoz Sáez, Francisco Javier"

Now showing items 1-4 of 4

    • First-principles study of Mn3 adsorbed on Au (111) and Cu(111) surfaces 
      Hernández Vázquez, E. E.; López Moreno, S.; Muñoz Sáez, Francisco Javier; Ricardo-Chávez, J. L.; Morán López, J. L. (Royal Soc Chemistry, England, 2021)
      A theoretical study of the Mn trimer adsorbed on the noble metal surfaces Au(111) and Cu(111) is reported. The calculations were performed using first-principles methods within the density functional theory and the generalized ...
    • High-temperature phonon-mediated superconductivity in monolayer Mg2B4C2 
      Singh, Sobhit; Romero, Aldo H.; Mella Riquelme, José; Eremeev, Vitalie; Muñoz, Enrique; Alexandrova, Anastassia N.; Rabe, Karin M.; Vanderbilt, David; Muñoz Sáez, Francisco Javier (Nature, 2022)
      A two-dimensional material - Mg2B4C2, belonging to the family of the conventional superconductor MgB2, is theoretically predicted to exhibit superconductivity with critical temperature T-c estimated in the 47-48 K range ...
    • Inducing a topological transition in graphene nanoribbons superlattices by external strain 
      Flores Gutiérrez, Esteban Andrés (Universidad de Chile, 2022)
      The purpose of this thesis is to study the existence of localized states in superlattices, which can be used to create nanoelectronic devices. These ideas are born with the observation of localized states in polyacetylene, ...
    • Understanding topological insulators in real space 
      Pendás, Ángel Martín; Muñoz Sáez, Francisco Javier; Cárdenas Valencia, Carlos Alberto; Contreras García, Julia (MDPI, 2021)
      A real space understanding of the Su-Schrieffer-Heeger model of polyacetylene is introduced thanks to delocalization indices defined within the quantum theory of atoms in molecules. This approach enables to go beyond the ...