4 papers · 1 filter
Theoretical study on the possibility of bipolar doping of ScN
G. Soto, M. G. Moreno-Armenta, A. Reyes-Serrato
Scandium nitride (ScN) is a semiconducting transition metal nitride for which there are not identified dopants. We present local density functional calculations, in supercell appro…
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…