First-principles studies of tip-sample interaction and STM-AFM image formation on TiO 2 ( 110 ) − 1 × 1 and TiO 2 ( 110 ) − 1 × 2 surfaces
First-principles studies of tip-sample interaction and STM-AFM image formation on TiO 2 ( 110 ) − 1 × 1 and TiO 2 ( 110 ) − 1 × 2 surfaces
复制标题
TiO 2 ( 110 ) − 1 × 1 和 TiO 2 ( 110 ) − 1 × 2 表面针尖-样品相互作用和 STM-AFM 图像形成的第一性原理研究
DOI：
10.1103/physrevb.65.125417
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发表时间：
2002
影响因子：
3.7
通讯作者：
K. Terakura
中科院分区：
文献类型：
--
作者：
S. Ke;T. Uda;K. Terakura
利用超软赝势平面波技术模拟了二氧化钛（110）1 × I和1 × 2表面的尖端-样品相互作用和扫描隧道显微镜原子力显微镜（STM-AFM）成像。研究了原子力显微镜中自旋极化和偏置电压对针尖-样品相互作用的影响。计算表明，总的来说，氧与氧的相互作用比钛与氧的相互作用强得多，这决定了原子力显微镜成像的主要特征。本文的计算为最近采用STM和AFM相结合技术的实验提供了合理的解释。
The tip-sample interaction and scanning tunneling microscopy atomic-force microscopy (STM-AFM) image formation on TiO 2 (110) 1 × I and 1 × 2 surfaces are simulated by using the ultrasoft pseudopotentials plane-wave technique. The effects of spin polarization and bias voltage on the tip-sample interaction in AFM are also investigated. The calculation demonstrates that overall the tip-oxygen interaction is much stronger than the tip-Ti interaction, which determines the main feature of the AFM image formation. The present calculations provide reasonable explanations to a very recent experiment adopting the technique of the combination of STM and AFM.