Materiales y Electromagnetismo (GME)

URI permanente para esta comunidad

https://hdl.handle.net/10784/2866
Se orienta al estudio de las propiedades fundamentales y aplicaciones de los materiales y los sistemas electromagnéticos, a través de la realización de experimentación avanzada, la simulación y la implementación de instrumentación científica, buscando entender el comportamiento de todos los materiales en diversas escalas y mejorar la capacidad para manipular y utilizar los campos electromagnéticos.

Líneas de investigación: Desarrollo y caracterización de materiales, Electromagnetismo y sus aplicaciones, Instrumentación científica.
Código Minciencias: COL0004273.
Categoría 2021: A.
Escuela: Ciencias Aplicadas e Ingeniería.
Líder: Mauricio Arroyave Franco.
Correo electrónico: marroya5@eafit.edu.co

Fusión de los grupos: Electromagnetismo Aplicado y Materiales de Ingeniería

Noticias

https://www.eafit.edu.co/sistema-ciencia-tecnologia-innovacion/investigacion/grupos-investigacion/materiales-electromagnetismo-gme
https://scienti.minciencias.gov.co/gruplac/jsp/visualiza/visualizagr.jsp?nro=00000000001612

Examinar

Examinando Materiales y Electromagnetismo (GME) por Autor "Alzate-Vargas, Leidy L."

Mostrando 1 - 1 de 1
  • No hay miniatura disponible
    Ítem
    Electronic and Topological Analysis for New Phases of Chromium Nitride
    (WILEY-V C H VERLAG GMBH, 2018-01-01) Marin-Suarez, Marco; Alzate-Vargas, Leidy L.; David, Jorge; Arroyave-Franco, Mauricio; Velez, Mario E.; Universidad EAFIT. Departamento de Ciencias Básicas; Electromagnetismo Aplicado (Gema)
    Chromium nitride (CrN) in its NaCl-type phase has been widely studied through density functional theory (DFT) in order to analyze its electronic properties. By the means of DFT with the Becke's three parameter Lee-Yang-Parr (B3LYP) hybrid functional, the same stoichiometry is studied in two unreported hypothetical phases in addition to the nonsynthesized and previously reported zinc-blende-type phase. The cohesive energy of every structure is calculated, and the analysis of this quantity indicated that all crystals are stable and that there is an unreported phase more stable than the synthesized one. The calculated electronic dispersion relation and density of electronic states allowed for the determination that these three phases have a conducting behavior. The symmetry of some bands is determined as a result of the crystal field splitting for chromium d states. The topology of the electron density was studied in order to determine its properties at bond critical points (BCPs). The form of the Laplacian of the density and its gradient trajectories allowed to locate ring critical points in these structures. From these calculations, it is concluded that all three phases are ionic crystals. The synthesized NaCl-type phase is studied in order to compare and confirm the results. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim