Simulation of the Formation of Ir Nanowires on the Ge(001) Surface

The formation of iridium nanowires on the Ge(001) surface has been studied for the first time using the density functional theory and the kinetic Monte Carlo method. It has been found that iridium adatoms are immersed in the surface layer, where they diffuse. The main diffusion events that determine...

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Bibliographic Details
Published in:JETP letters 2024-08, Vol.120 (4), p.265-269
Main Authors: Syromyatnikov, A. G., Saletsky, A. M., Klavsyuk, A. L.
Format: Article
Language:English
Subjects:
Anisotropy
Atomic
Biological and Medical Physics
Biophysics
Condensed Matter
Density functional theory
Diffusion layers
Dimers
Iridium
Molecular
Monte Carlo simulation
Nanowires
Optical and Plasma Physics
Particle and Nuclear Physics
Physics
Physics and Astronomy
Quantum Information Technology
Solid State Physics
Spintronics
Surface layers
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Summary:The formation of iridium nanowires on the Ge(001) surface has been studied for the first time using the density functional theory and the kinetic Monte Carlo method. It has been found that iridium adatoms are immersed in the surface layer, where they diffuse. The main diffusion events that determine the formation of atomic wires and their shape have been identified. The anisotropy of iridium atom diffusion in the Ge(001) surface layer has been detected. It has been found that the repulsion between the iridium atom and the iridium dimer leads to the formation of nanowires consisting of dimers separated by one atomic row. The results obtained are in good agreement with experimental data.
ISSN:0021-3640
1090-6487
DOI:10.1134/S0021364024602331