Das Bidisa, Acharya Somobrata
Centre for Advanced Materials (CAM), Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032, India.
J Nanosci Nanotechnol. 2012 Aug;12(8):6258-64. doi: 10.1166/jnn.2012.6210.
Electronic transport through single nanowire/nanorod directly probes the fundamental limits of semiconductor device miniaturization. Point defects or impurity centers form easily during the growth of nanorods/nanowires which may strongly affect the electronic transport efficiencies. Existing models of electronic transport are often unable to determine the role of defects and impurities at the nanoscale because there are significant differences between nanostructures and bulk materials arising from unique geometries and confinement. The effect of defect and impurities on the conductance of a model ultranarrow PbS rod was modeled using density functional theory. It was observed that the introduction of defects and Au impurities modified the orbital energies of PbS nanorods and reduced the conductance compared to the defect-free rod. The conductance for the nanorods with defects and impurities were limited by the number of available conduction channels required for efficient electronic conduction.
通过单根纳米线/纳米棒的电子输运直接探测了半导体器件小型化的基本极限。在纳米棒/纳米线生长过程中很容易形成点缺陷或杂质中心，这可能会强烈影响电子输运效率。现有的电子输运模型往往无法确定缺陷和杂质在纳米尺度上的作用，因为纳米结构与块体材料之间存在显著差异，这些差异源于独特的几何形状和限制效应。利用密度泛函理论对缺陷和杂质对模型超窄PbS棒电导的影响进行了建模。观察到与无缺陷棒相比，缺陷和Au杂质的引入改变了PbS纳米棒的轨道能量并降低了电导。具有缺陷和杂质的纳米棒的电导受到有效电子传导所需可用传导通道数量的限制。
