Por favor, use este identificador para citar o enlazar este ítem:
http://ipicyt.repositorioinstitucional.mx/jspui/handle/1010/2275| Propiedades magnéticas de agregados de metales 3d adsorbidos sobre superficies no magnéticas | |
| ESTHER ELENA HERNANDEZ VAZQUEZ | |
| JOSE LUIS MORAN LOPEZ | |
| Acceso Abierto | |
| Atribución-NoComercial-SinDerivadas | |
| Superficies Elementos 3d Barreras de energía | |
| "The magnetic elements of the 3d row of the periodic table, have been extensively studied from an experimental and theoretical points of view. The study of these systems has been encouraged because their possible applications in electronics and the magnetic recording industry. Mn is one of the most intriguing elements of this series because it has a quite peculiar magnetic and crystallographic behavior, which depends on its environment. Also, at the atomic scale, it has been observed that the aggregates have physical properties that depend on their size. It is important to highlight that the size of the structures, geometry, and mobility are influenced by the intrinsic defects of the surface and by the temperature. In this work, phenomena related to the absorption of elements of the 3d series on noble metal surfaces and perfect graphene with defects were studied. In the first case, we report the results of the calculation of the stability, electronic and magnetic structure of the adsorption of a Mn trimer, forming a linear chain and when they are adsorbed in triangular form, on non-magnetic metal surfaces (Cu and Au) on the surface (111), using the functional theory of density. As a result, we find that the physical properties of the trimer depend on both the interaction between the Mn atoms and the surface of the substrate. Which could be studied from a qualitative analysis of the distribution of the electronic charges of the Mn/Cu(111) system [Mn/Au(111)]. The atoms that actively participate in adsorption energy are mainly those in the vicinity of the trimer. In the case of the Cu (111) substrate, there is also an important interaction with those neighbors of the second layer. On the other hand, we find that the most stable magnetic state is that in which the atoms in the trimer couple antiferromagnetically. The non-collinear and ferromagnetic states are close in energy but are less bounded. In the case of the adsorbed trimer in a triangular arrangement, two geometric configurations are described; we call them Delta and Hexagonal. We found that the Delta configuration has lower energy states compared to their counterparts in H. The energies differ energetically between 230 and 350 meV. The second system describes the interaction of an adsorbed Ni atom in a pristine graphene network and with a simple vacancy. For this, a large cell (8$\times$8) was used." | |
| 01-11-2019 | |
| Tesis de doctorado | |
| FÍSICA | |
| Aparece en las colecciones: | Publicaciones Científicas Nanociencias y Materiales |
Cargar archivos:
| Fichero | Tamaño | Formato | |
|---|---|---|---|
| TDIPICYTH4P72019.pdf | 35.88 MB | Adobe PDF | Visualizar/Abrir |