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Jagger Rivera-Julio, William López-Pérez, Rafael González-Hernández, Gene E. Escorcia-Salas and José Sierra-Ortega First-principles study of vanadium adsorption and diffusion on the AlN(0001) surface International Journal of Quantum Chemistry 113

Version of Record online: 28 MAR 2012 | DOI: 10.1002/qua.24079

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In order to improve the quality of the transition-metal (TM) films on AlN surfaces, it is essential to understand the structural and electronic properties of the AlN surface and the underlying kinetic processes on it (such as adsorption, desorption, and surface diffusion). In particular, the TM adsorption energy and the TM diffusion energy barrier on the AlN surfaces are considered key parameters for controlling the growth rate and the material quality.

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