模拟在 Ge(001) 表面形成 Ir 纳米线

IF 1.4 4区物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY

JETP Letters Pub Date : 2024-10-02 DOI:10.1134/S0021364024602331

A. G. Syromyatnikov, A. M. Saletsky, A. L. Klavsyuk

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引用次数: 0

摘要

我们首次利用密度泛函理论和蒙特卡洛动力学方法研究了铱纳米线在 Ge(001) 表面的形成。研究发现，铱原子浸入表层，并在表层中扩散。确定了决定原子线形成及其形状的主要扩散事件。铱原子在 Ge(001) 表层扩散的各向异性已被探测到。研究发现，铱原子与铱二聚体之间的斥力导致了纳米线的形成，纳米线由相隔一个原子行的二聚体组成。研究结果与实验数据十分吻合。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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

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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 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.

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来源期刊

JETP Letters 物理-物理：综合

CiteScore

2.40

自引率

30.80%

发文量

164

审稿时长

3-6 weeks

期刊介绍： All topics of experimental and theoretical physics including gravitation, field theory, elementary particles and nuclei, plasma, nonlinear phenomena, condensed matter, superconductivity, superfluidity, lasers, and surfaces.