Published

2017-07-01

ESTUDIO TEÓRICO DEL FERROMAGNETISMO DE LA SUPERFICIE m-GaN DOPADA CON Mn

THEORETICAL STUDY OF SURFACE FERROMAGNETISM m-GaN DOPED WITH Mn

DOI:

https://doi.org/10.15446/mo.n55.66143

Keywords:

Densidad de estados, magnetismo superficial, nitruro de galio, teoría del funcional densidad. (es)
Density of states, surface magnetism, gallium nitride, density funtional theory. (en)

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Authors

  • Oscar Martínez Grupo de Investigación en Física Aplicada, Departamento de Física, Universidad del Norte, Barranquilla, Colombia.
  • William López Grupo de Investigación en Física Aplicada, Departamento de Física, Universidad del Norte, Barranquilla, Colombia.
  • Alvaro González Grupo de Investigación en Física Aplicada, Departamento de Física, Universidad del Norte, Barranquilla, Colombia.
  • Rafael González Grupo de Investigación en Física Aplicada, Departamento de Física, Universidad del Norte, Barranquilla, Colombia.
Se realizaron cálculos de primeros principios para estudiar las propiedades estructurales, electrónicas y magnéticas de la superficie m-GaN dopada con manganeso (Mn). Este dopaje generó un momento magnético total de 4 µB debido a la interacción de los estados 2p-N y 3d-Mn. Se encontró que el dopaje de Mn es responsable del 82 % de la magnetización total de la superficie. Además, el dopaje generó cambios estructurales en la superficie y se evidenciaron en las distancias entre las capas atómicas “d12, d23, d34, d45”. La superficie mostró propiedades de metal y semiconductor simultáneamente, estos materiales son llamados “half-metalic”, dependiendo de la polarización del espín. Se determinó la posición sustitucional del dopaje mas estable energéticamente, así mismo se observó que este dopaje generó menos cambios estructurales como lo muestran los porcentajes de cambio en las distancias entre capas atómicas “∆d12, ∆d23, ∆d34, ∆d45”
First principles calculations were performed to study the structural, electronic and magnetic properties of the surface of m-GaN doped with manganese (Mn). This doping generated total magnetic moment 4 µB due to interaction of the 2p-N and Mn 3d-states. It was found that doping of Mn is responsible for 82 % of the total magnetization of the surface. In addition, doping generated structural changes in the surface which were evident in the distances between the atomic layers “d12, d23, d34, d45”. The surface showed metal and semiconductor properties simultaneously. These materials are called “half-metalic” depending on the spin polarization. Substitutional position of the most stable energy doping was determined, and was observed that doping generated less structural changes as that shown by the changes in the distance between atomic layers “∆d12, ∆d23, ∆d34, ∆d45”.

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How to Cite

THEORETICAL STUDY OF SURFACE FERROMAGNETISM m-GaN DOPED WITH Mn. (2017). MOMENTO, 55, 36-43. https://doi.org/10.15446/mo.n55.66143

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