Shaping the composition profiles in heteroepitaxial quantum dots: Interplay of thermodynamic and kinetic effects | Zendy

Christodoulos Georgiou | Zendy; Theodoros Leontiou | Zendy; P. C. Kelires | Zendy

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Shaping the composition profiles in heteroepitaxial quantum dots: Interplay of thermodynamic and kinetic effects

Author(s) -

Christodoulos Georgiou,

Theodoros Leontiou,

P. C. Kelires

Publication year - 2014

Publication title -

aip advances

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.421

H-Index - 58

ISSN - 2158-3226

DOI - 10.1063/1.4891935

Subject(s) - non equilibrium thermodynamics , diffusion , kinetic energy , kinetic monte carlo , quantum dot , materials science , kinetics , component (thermodynamics) , chemical physics , coupling (piping) , monte carlo method , thermodynamics , chemistry , nanotechnology , physics , statistics , mathematics , quantum mechanics , metallurgy

Atomistic Monte Carlo simulations, coupling thermodynamic and kinetic effects, resolve a longstanding controversy regarding the origin of composition profiles in heteroepitaxial SiGe quantum dots. It is shown that profiles with cores rich in the unstrained (Si) component derive from near-equilibrium processes and intraisland diffusion. Profiles with cores rich in the strained (Ge) component are of nonequilibrium nature, i.e., they are strain driven but kinetically limited. They are shaped by the distribution of kinetic barriers of atomic diffusion in the islands. The diffusion pathways are clearly revealed for the first time. Geometrical kinetics play a minor role

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