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Article Dans Une Revue Japanese Journal of Applied Physics Année : 2020

A two-dimensional liquid-like phase on Ga-rich GaN (0001) surfaces evidenced by first principles molecular dynamics

Résumé

First principles molecular dynamics simulations have been used as a tool to investigate at an atomistic level the finite temperature behavior of a typical GaN growing surface. At 1300 K, Ga adatoms show a high degree of destabilization and a departure of the diffusivity from an ordinary Arrhenius trend. Two signatures, a drastic change in the radial distribution function and a sudden increase of the diffusion constant, allow to quantify such a diffusion process. Such a high diffusivity results in the arising of a pronounced peak at about 2.6 Å, typical of Ga–Ga bonds, indicating a tendency to cluster together of the Ga adatoms. Along with the remarkable diffusivity observed at 1300 K, this result indicates rather clearly that at the typical experimental temperature, the epitaxial growth occurs not on a rigid surface in which Ga adatoms are tightly bound to specific sites, but rather on a two-dimensional liquid state.
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Dates et versions

hal-02990661 , version 1 (22-12-2020)

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Kieu My Bui, Mauro Boero, Kenji Shiraishi, Atsushi Oshiyama. A two-dimensional liquid-like phase on Ga-rich GaN (0001) surfaces evidenced by first principles molecular dynamics. Japanese Journal of Applied Physics, 2020, 59 (SG), pp.SGGK04. ⟨10.7567/1347-4065/ab650b⟩. ⟨hal-02990661⟩
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