Density-functional calculations for self-assembled Bi-nanolines on the InAs(100) surface

A. Z. AIZahrani; G. P. Srivastava

首页> 外文期刊>Journal of Applied Physics >Density-functional calculations for self-assembled Bi-nanolines on the InAs(100) surface

【24h】

Density-functional calculations for self-assembled Bi-nanolines on the InAs(100) surface

机译：InAs（100）表面上自组装双纳米线的密度泛函计算

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

We have performed an ab initio investigation of the stability, atomic geometry, and electronic properties of the self-assembled bismuth (Bi)-nanolines on the Bi-stabilized indium arsenide (InAs)(100) surface. Our calculations were performed within the local density approximation of the density functional theory, using pseudopotentials to describe the electron-ion interactions. We have examined several metastable Bi nanolines arrangements on the top of the Bi-stabilized InAs(100) surface. Our total energy calculations suggest that the most stable configuration of the Bi nanolines is formed by Bi dimers parallel to the Bi dimers on the Bi/InAs(100) surface. We have found that the structure is metallic with several occupied and unoccupied surface states within the bulk InAs gap region. These states are mainly due to the top and first sublayer Bi atoms. Our theoretically simulated scanning tunneling microscope (STM) image shows a very bright line along the [011] direction, which is consistent with the experimental STM images.

机译：我们从头开始研究了Bi稳定的砷化铟（InAs）（100）表面上自组装的铋（Bi）-纳米线的稳定性，原子几何形状和电子性能。我们的计算是在密度泛函理论的局部密度近似值内进行的，使用伪势来描述电子-离子相互作用。我们已经检查了Bi稳定的InAs（100）表面顶部的几种亚稳态Bi纳米线排列。我们的总能量计算表明，Bi纳米线的最稳定构型是由与Bi / InAs（100）表面上的Bi二聚体平行的Bi二聚体形成的。我们已经发现，该结构是金属的，在块状InAs间隙区域内具有多个占据和未占据的表面状态。这些状态主要归因于顶层和第一子层Bi原子。我们的理论模拟扫描隧道显微镜（STM）图像沿[011]方向显示一条非常亮的线，与实验STM图像一致。

著录项

来源
《Journal of Applied Physics》 |2009年第5期|053713.1-053713.5|共5页
作者
A. Z. AIZahrani; G. P. Srivastava;
展开▼
作者单位

School of Physics, University of Exeter, Stocker Road, Exeter EX4 4QL, United Kingdom;

School of Physics, University of Exeter, Stocker Road, Exeter EX4 4QL, United Kingdom;

展开▼
收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
原文格式 PDF
正文语种 eng
中图分类
关键词

相似文献

外文文献
中文文献
专利

1. Surface-induced C-O bond anharmonicity of methoxy adsorbed on Cu(100):Experiments and density-functional theory calculations [J] . M.P.Andersson, J.Blomquist, P.Uvdal The Journal of Chemical Physics . 2005,第22期

机译：Cu（100）吸附的甲氧基表面诱导的C-O键不和谐：实验与密度泛函理论计算
2. Surface-induced C-O bond anharmonicity of methoxy adsorbed on Cu(100): Experiments and density-functional theory calculations [J] . Andersson MP, Blomquist J, Uvdal P The Journal of Chemical Physics . 2005,第22期

机译：Cu（100）上吸附的甲氧基的表面诱导的C-O键不和谐：实验和密度泛函理论计算
3. Surface-induced C-O bond anharmonicity of methoxy adsorbed on Cu(100): Experiments and density-functional theory calculations [J] . Andersson MP, Blomquist J, Uvdal P The Journal of Chemical Physics . 2005,第22期

机译：Cu（100）上吸附的甲氧基的表面诱导的C-O键不和谐：实验和密度泛函理论计算
4. Probing the Adsorption of Fluorine on Aluminum (111) Surfaces by Low-Energy Ion Scattering and Density-Functional Calculations [C] . Mark Allendorf, Robert Bastasz The Meeting of the Electrochemical Society . 2001

机译：低能量离子散射和密度函数计算探测铝（111）表面上的氟化物吸附
5. Surface Chemistry and Interface Evolution during the Atomic Layer Deposition of High-k Metal Oxides on InAs(100) and GaAs(100) Surfaces. [D] . Henegar, Alex J. 2015

机译：在InAs（100）和GaAs（100）表面上高k金属氧化物原子层沉积过程中的表面化学和界面演化。
6. Density-Functional Tight-BindingStudy of Carbonaceous Species Diffusionon the (100)-γ-Al2O3 Surface [O] . AdityaW. Sakti, Chien-Pin Chou, Hiromi Nakai 2020

机译：密度功能紧密结合碳质物质扩散的研究在（100）-γ-Al2O3表面上
7. Near-surface electronic structure on InAs(100) modified with self-assembled monolayers of alkanethiols [O] . T. A. Tanzer, P. W. Bohn, I. V. Roshchin, 1999

机译：用自组装单层的链烷醇改性in in-surface电子结构（100）

Density-functional calculations for self-assembled Bi-nanolines on the InAs(100) surface

摘要

著录项

相似文献

相关主题

期刊订阅