328 citations · 799 across the 3 of their papers we have counts for
3 papers
Extracting convergent surface energies from slab calculations
V. Fiorentini, M. Methfessel
The formation energy of a solid surface can be extracted from slab calculations if the bulk energy per atom is known. It has been pointed out previously that the resulting surface…
Reconstruction Mechanism of FCC Transition-Metal (001) Surfaces
Vincenzo Fiorentini, Michael Methfessel, Matthias Scheffler
The reconstruction mechanism of (001) fcc transition metal surfaces is investigated using a full-potential all-electron electronic structure method within density-functional theory…
Electronic and structural properties of GaN by the full-potential LMTO method : the role of the electrons
Vincenzo Fiorentini, Michael Methfessel, Matthias Scheffler
The structural and electronic properties of cubic GaN are studied within the local density approximation by the full-potential linear muffin-tin orbitals method. The Ga electr…