Structural stability and scanning tunneling microscopy images of strained Ge films on Si(001)
Structural stability and scanning tunneling microscopy images of strained Ge films on Si(001)
复制标题
Si(001)上应变Ge薄膜的结构稳定性和扫描隧道显微镜图像
DOI：
10.1103/physrevb.87.075323
复制
发表时间：
2013
影响因子：
3.7
通讯作者：
A. Oshiyama
中科院分区：
文献类型：
--
作者：
Y. Fujimoto;A. Oshiyama
我们研究了能量学和扫描隧道显微镜（STM）图像的几个Ge薄膜在Si（001）衬底上使用第一性原理的总能量计算的密度泛函理论。计算了Si（001）衬底上沉积的具有二聚体空位线（DVL）和90个位错核（DC）的Ge薄膜的能量随Ge层厚度的变化。我们的能量计算表明，当在Si（001）衬底上淀积足够厚的Ge覆盖层时，90DC结构变得稳定。我们还计算了，DVL，和90 DC结构的STM图像，我们发现，它们的表面结构的STM图像是彼此区分。
We investigate energetics and scanning tunneling microscopy (STM) images of several Ge films on Si(001) substrates using a first-principles total-energy calculation within the density-functional theory. We calculate the film energies of various Ge films with dimer-vacancy lines (DVL) and 90dislocation cores (DC) deposited on Si(001) substrate as a function of Ge-layer thickness. Our energetics calculation suggests that 90DC structure becomes stable when sufficiently thick Ge overlayers are deposited on Si(001) substrate. We also calculate the STM images of,DVL, and 90DC structures, and we find that STM images of their surface structures are distinguishable from one another.