Efficient First-Principles Simulation of Noncontact Atomic Force Microscopy for Structural Analysis

被引：22

作者：

Chan, T. -L. ^{[1
,2
,3
]}

Wang, C. Z. ^{[2
,3
]}

Ho, K. M. ^{[2
,3
]}

Chelikowsky, James R. ^{[1
]}

机构：

[1] Univ Texas Austin, Inst Computat Engn & Sci, Ctr Computat Mat, Austin, TX 78712 USA

[2] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA

[3] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA

来源：

PHYSICAL REVIEW LETTERS | 2009年 / 102卷 / 17期

基金：

美国国家科学基金会;

关键词：

TOTAL-ENERGY CALCULATIONS; TIO2(110) SURFACE; SI(111); RESOLUTION; IMAGE;

D O I：

10.1103/PhysRevLett.102.176101

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We propose an efficient scheme to simulate noncontact atomic force microscopy images by using first-principles self-consistent potential from the sample as input without explicit modeling of the atomic force microscopy tip. Our method is applied to various types of semiconductor surfaces including Si(111)-(7 x 7), TiO2(110)-(1 x 1), Ag/Si(111)-(root 3 x root 3)R30 degrees, and Ge/Si(105)-(1 x 2) surfaces. We obtain good agreement with experimental results and previous theoretical studies, and our method can aid in identifying different structural models for surface reconstruction.

引用

页数：4

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