Author(s): ALEXANDER RUDEN MUÑOZ | JUAN MANUEL GONZALEZ CARMONA | ELISABET RESTREPO PARRA
Journal: Informador Técnico
ISSN 0122-056X
Volume: 77;
Issue: 1;
Start page: 11;
Date: 2013;
Original page
Keywords: CrN | Hybridization | Computational simulation.
ABSTRACT
CrN thin films were synthesized via Magnetron Sputtering deposition technique on (111) oriented Silicon substrates. Coatings were analyzed by using X-ray Diffraction (XRD) and Raman spectroscopy, determining the cubic phase for the ceramic compound. Computational simulation of the CrN cubic crystallographic structure, performed by using Density Functional Theory (DFT), showed stability by the sum of Mulliquen charges equal to zero and compound hybridization with characteristic sp molecular orbitals and the identification of the p molecular orbital component from the nitrogen.
Journal: Informador Técnico
ISSN 0122-056X
Volume: 77;
Issue: 1;
Start page: 11;
Date: 2013;
Original page
Keywords: CrN | Hybridization | Computational simulation.
ABSTRACT
CrN thin films were synthesized via Magnetron Sputtering deposition technique on (111) oriented Silicon substrates. Coatings were analyzed by using X-ray Diffraction (XRD) and Raman spectroscopy, determining the cubic phase for the ceramic compound. Computational simulation of the CrN cubic crystallographic structure, performed by using Density Functional Theory (DFT), showed stability by the sum of Mulliquen charges equal to zero and compound hybridization with characteristic sp molecular orbitals and the identification of the p molecular orbital component from the nitrogen.
