Department of Physics, Arizona State University, Tempe, AZ 85287, USA.
Science. 2012 Feb 24;335(6071):950-3. doi: 10.1126/science.1214780.
It is widely believed that the continuous random network (CRN) model represents the structural topology of amorphous silicon. The key evidence is that the model can reproduce well experimental reduced density functions (RDFs) obtained by diffraction. By using a combination of electron diffraction and fluctuation electron microscopy (FEM) variance data as experimental constraints in a structural relaxation procedure, we show that the CRN is not unique in matching the experimental RDF. We find that inhomogeneous paracrystalline structures containing local cubic ordering at the 10 to 20 angstrom length scale are also fully consistent with the RDF data. Crucially, they also matched the FEM variance data, unlike the CRN model. The paracrystalline model has implications for understanding phase transformation processes in various materials that extend beyond amorphous silicon.
人们普遍认为连续无规网络(CRN)模型代表了非晶硅的结构拓扑。关键证据是该模型可以很好地再现通过衍射获得的实验缩减密度函数(RDF)。通过在结构弛豫过程中结合电子衍射和波动电子显微镜(FEM)方差数据作为实验约束,我们表明 CRN 并不唯一匹配实验 RDF。我们发现,包含局部立方有序的非晶态类质同晶结构,在 10 到 20 埃长度尺度上,也与 RDF 数据完全一致。至关重要的是,它们也与 FEM 方差数据匹配,而不像 CRN 模型。该类质同晶模型对于理解超越非晶硅的各种材料的相变过程具有重要意义。