Growth of thallium overlayers on a Si(100) surface
Growth of thallium overlayers on a Si(100) surface
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Si(100) 表面上铊覆盖层的生长
DOI：
10.1103/physrevb.71.035312
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发表时间：
2005
影响因子：
3.7
通讯作者：
K. Oura
中科院分区：
文献类型：
--
作者：
A. Saranin;A. Zotov;V. G. Kotlyar;I. Kuyanov;T. V. Kasyanova;A. Nishida;M. Kishida;Y. Murata;H. Okado;M. Katayama;K. Oura
使用扫描隧道显微镜 (STM) 和第一原理总能量计算研究了表面铊 (Tl) 覆盖层的形成。已经发现，Tl原子的吸附涉及电荷转移，导致静态偶极子的形成，该偶极子负责Tl吸附物在表面上的场辅助迁移。当 STM 尖端偏置电压为正时，Tl 原子被从尖端顶点下方的区域排斥。在负偏压的情况下，Tl 累积在尖端下方。已发现四种主要的有序重建，即用0.25、0.50和0.75ML的T1进行的三种重建以及用1.0ML的T1进行的重建。这些重建的可能原子排列已经使用第一原理总能量计算进行了评估。
Formation of the thallium (Tl) overlayers on thesurface has been studied using scanning tunneling microscopy (STM) and first-principles total-energy calculations. It has been found that adsorption of Tl atom involves a charge transfer leading to the development of a static dipole which is responsible for the field-assisted migration of the Tl adsorbate on the surface. When the STM tip bias voltage is positive, Tl atoms are repelled out from the region underneath the tip apex. In the case of the negative bias voltage, Tl is accumulated underneath the tip. Four principal orderedreconstructions have been found, namely, threereconstructions with 0.25, 0.50, and 0.75 ML of Tl andreconstruction with 1.0 ML of Tl. The possible atomic arrangement of these reconstructions has been evaluated using first-principles total-energy calculations.