Origins of stress on elemental and chemisorbed semiconductor surfaces.
Origins of stress on elemental and chemisorbed semiconductor surfaces.
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DOI：
10.1103/physrevlett.63.1404
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发表时间：
1989-09
影响因子：
8.6
通讯作者：
Robert D. Meade;David Vanderbilt
中科院分区：
文献类型：
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作者：
Robert D. Meade;David Vanderbilt
用第一性原理计算了吸附原子覆盖的Si(111)和Ge(111)表面的应力和能量。表面应力的趋势通过三个因素来理解：吸附原子和衬底原子的相对原子尺寸，吸附物种的化学性质，以及表面重构的成键拓扑结构。
First-principles calculations of stress and energy have been performed on 1\ifmmode\times\else\texttimes\fi{}1 substitutional and \ensuremath{\surd}3 \ifmmode\times\else\texttimes\fi{} \ensuremath{\surd}3 adatom-covered Si(111) and Ge(111) surfaces, using a variety of column-III, -IV, and -V adsorbates. Trends in surface stresses are understood in terms of three contributing factors: the relative atomic size of the adsorbate and substrate atoms, the chemical nature of the adsorbate species, and the bonding topology of the surface reconstruction.