Tight-binding (TB) potentials allow for a straightforward separation of the binding and repulsive contributions in the total energy. This issue can be used in molecular dynamics runs to correlate the local atomic structure to the diffusion paths and the activation energies of silicon mobility in TiSi2, which is the most common material for metallisations and local interconnects in microelectronic devices. In this work we focus on the self-diffusion process at high temperature and a relation between the crystal structures and the diffusion paths for the two competing phases is drawn. © 2001 Elsevier Science B.V. All rights reserved.

Iannuzzi, M., Raiteri, P., & Miglio, L. (2001). Self-diffusion of silicon in TiSi2 competing phases by tight-binding molecular dynamics. COMPUTATIONAL MATERIALS SCIENCE, 20(3-4), 394-400 [10.1016/S0927-0256(00)00199-3].

Self-diffusion of silicon in TiSi2 competing phases by tight-binding molecular dynamics

MIGLIO, LEONIDA
2001

Abstract

Tight-binding (TB) potentials allow for a straightforward separation of the binding and repulsive contributions in the total energy. This issue can be used in molecular dynamics runs to correlate the local atomic structure to the diffusion paths and the activation energies of silicon mobility in TiSi2, which is the most common material for metallisations and local interconnects in microelectronic devices. In this work we focus on the self-diffusion process at high temperature and a relation between the crystal structures and the diffusion paths for the two competing phases is drawn. © 2001 Elsevier Science B.V. All rights reserved.
Articolo in rivista - Articolo scientifico
Scientifica
silicides
English
394
400
7
Iannuzzi, M., Raiteri, P., & Miglio, L. (2001). Self-diffusion of silicon in TiSi2 competing phases by tight-binding molecular dynamics. COMPUTATIONAL MATERIALS SCIENCE, 20(3-4), 394-400 [10.1016/S0927-0256(00)00199-3].
Iannuzzi, M; Raiteri, P; Miglio, L
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/10281/8767
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