267 citations · 1.5k across the 43 of their papers we have counts for
42 papers
Quantum size effects of Pb overlayers at high coverages
A. Ayuela, E. Ogando, N. Zabala
We have studied Pb thin films as a function of the thickness up to 60 monolayers (MLs) using ab initio first principles and model calculations. Magic heights corresponding to a mod…
Restored quantum size effects of Pb overlayers at high coverages
A. Ayuela, E. Ogando, N. Zabala
Abnormally large stability of Pb nanostructures grown on metallic or semiconductor substrates has been observed even for heights of about 30 monolayers. Using both density-function…
Magneto-optical Properties of Reduced Titania Probed by First-principles Calculations: Polarons
C. Echeverria-Arrondo, H. Raebiger, J. Perez-Conde +2
The magneto-optical properties of titanium dioxide systems are related to the presence of impurity states in the band gap due to oxygen vacancies. To understand about the interplay…
Relative Stability of Bernal and Rhombohedral Stackings in Trilayer Graphene under Distortions
Raúl Guerrero-Avilés, Marta Pelc, Fabian Geisenhof +2
Stackings in graphene have a pivotal role in properties to be discussed in the future, as seen in the recently found superconductivity of twisted bilayer graphene. Beyond bilayer g…
Modification of the Optical Properties of Molecular Chains upon Coupling to Adatoms
Marvin M. Müller, Miriam Kosik, Marta Pelc +4
Adsorbed atoms (adatoms) coupled to the matrix of solid state host materials as impurities can significantly modify their properties. Especially in low-dimensional materials, such…
Out-of-plane magnetic anisotropy in bulk ilmenite
M. Arruabarrena, A. Leonardo, M. Rodriguez-Vega +2
Structural, electronic and magnetic properties of bulk ilmenite CoTiO are analyzed in the framework of density functional theory (DFT), using the generalized gradient approxima…