7 papers
Study on the formation and the decomposition of AgN3 and a hypothetical compound ReN3 by using density functional calculations
G. Soto
We present a comparative study between ReN3 and AgN3 by using density functional theory. The ReN3 is a hypothetical compound proposed by us to interpret the Re to Re interplanar sp…
Comment on Synthesis of rhenium nitride crystal with MoS2 structure
Gerardo Soto
Kawamura et. al. recently published an article about the synthesis of rhenium nitride with MoS2-type structure [APL 100, 251910(2012)]. We disagree with the composition proposed by…
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…
The Laser Ablation Production of Platinum Nitride and its Possible Structure
G. Soto, M. G. Moreno-Armenta
The synthesis of platinum nitride by the laser ablation method is reported. The spectroscopic results show that nitrogen is in interstitial sites of platinum as N-units, contradict…
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…