Computational simulation of the CrN - FCC structure; Simulación computacional de la estructura FCC del CrN

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 crystall...

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Main Authors: ALEXANDER RUDEN MUÑOZ, JUAN MANUEL GONZALEZ CARMONA, ELISABET RESTREPO PARRA
Format: Article
Language:English
Published: Servicio Nacional de Aprendizaje (SENA) 2013-06-01
Series:Informador Técnico
Subjects:
CrN
Online Access:http://informadortecnico.senaastin.com/index.php/inf_tec/article/view/73/50
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spelling doaj-394d0664078649b198353d696b1af8132020-11-25T03:18:52ZengServicio Nacional de Aprendizaje (SENA)Informador Técnico0122-056X2256-50352013-06-017711116Computational simulation of the CrN - FCC structure; Simulación computacional de la estructura FCC del CrNALEXANDER RUDEN MUÑOZJUAN MANUEL GONZALEZ CARMONAELISABET RESTREPO PARRACrN 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.http://informadortecnico.senaastin.com/index.php/inf_tec/article/view/73/50CrNHybridizationComputational simulation.
collection DOAJ
language English
format Article
sources DOAJ
author ALEXANDER RUDEN MUÑOZ
JUAN MANUEL GONZALEZ CARMONA
ELISABET RESTREPO PARRA
spellingShingle ALEXANDER RUDEN MUÑOZ
JUAN MANUEL GONZALEZ CARMONA
ELISABET RESTREPO PARRA
Computational simulation of the CrN - FCC structure; Simulación computacional de la estructura FCC del CrN
Informador Técnico
CrN
Hybridization
Computational simulation.
author_facet ALEXANDER RUDEN MUÑOZ
JUAN MANUEL GONZALEZ CARMONA
ELISABET RESTREPO PARRA
author_sort ALEXANDER RUDEN MUÑOZ
title Computational simulation of the CrN - FCC structure; Simulación computacional de la estructura FCC del CrN
title_short Computational simulation of the CrN - FCC structure; Simulación computacional de la estructura FCC del CrN
title_full Computational simulation of the CrN - FCC structure; Simulación computacional de la estructura FCC del CrN
title_fullStr Computational simulation of the CrN - FCC structure; Simulación computacional de la estructura FCC del CrN
title_full_unstemmed Computational simulation of the CrN - FCC structure; Simulación computacional de la estructura FCC del CrN
title_sort computational simulation of the crn - fcc structure; simulación computacional de la estructura fcc del crn
publisher Servicio Nacional de Aprendizaje (SENA)
series Informador Técnico
issn 0122-056X
2256-5035
publishDate 2013-06-01
description 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.
topic CrN
Hybridization
Computational simulation.
url http://informadortecnico.senaastin.com/index.php/inf_tec/article/view/73/50
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AT juanmanuelgonzalezcarmona computationalsimulationofthecrnfccstructuresimulacioncomputacionaldelaestructurafccdelcrn
AT elisabetrestrepoparra computationalsimulationofthecrnfccstructuresimulacioncomputacionaldelaestructurafccdelcrn
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