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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2013-06-01
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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 |
work_keys_str_mv |
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1724625339448033280 |