LEIVA EZEQUIEL PEDRO MARCOS
Artículos
Título:
Diffusion mechanisms taking place eat the early stages of cobalt deposition on Au(111)
Autor/es:
O. A. OVIEDO; LEIVA, EPM; M. M. MARISCAL
Referencias:
Lugar: London; Año: 2008 vol. 20 p. 265010 - 265010
Resumen:
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In the present work a detailed atomic-level analysis of some of the main diffusion mechanisms
which take place during cobalt adatom deposition are studied within atom dynamics (AD) and
the nudged elastic band (NEB) method. Our computer simulations reveal a very fast exchange
between Co and Au atoms when the deposit is a single cobalt adatom. However, when the
nucleus size increases, a decrease in the exchange probability is observed. Activation energies
for different transitions are obtained using AD in combination with the NEB method.