4 papers
Fluorine effect in layered oxypnictide LaOFeAs
A. Reyes-Serrato, D. H. Galvan, G. Soto
Theoretical calculations under the scheme of WIEN2k computer package had been performed on the pristine compound LaOFeAs, as well as on LaO1-xFxFeAs. One factor crucial to the mani…
First Principles Study on the Formation of Yttrium Nitride in Cubic and Hexagonal Phases
G. Soto, M. G. Moreno-Armenta, A. Reyes-Serrato
We have studied the formation of yttrium nitride in which the Y-atoms were arranged in two common close-packed stacking: The AB-stacking (hcp-symmetry) is the ground state of metal…
Beryllium nitride thin film grown by reactive laser ablation
G. Soto, J. A. Diaz, R. Machorro +2
Beryllium nitride thin films were grown on silicon substrates by laser ablating a beryllium foil in molecular nitrogen ambient. The composition and chemical state were determined w…
Ab initio Hartree-Fock with electronic correlation study of the electronic properties of MgB2
Armando Reyes-Serrato, Donald H. Galvan
We performed all-electron ab initio self-consistent field Hartree-Fock linear combination of atomic orbital, in which electronic correlation using density functional were included…