National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Japan.
Integrated Bio-Engineering Centre (NIBEC), University of Ulster, Coleraine, UK.
Sci Rep. 2023 Mar 22;13(1):4684. doi: 10.1038/s41598-023-31989-8.
We discuss the electronic properties of quantum-confined nanocrystals. In particular, we show how, starting from the discrete molecular states of small nanocrystals, an approximate band structure (quasi-band structure) emerges with increasing particle size. Finite temperature is found to broaden the discrete states in energy space forming even for nanocrystals in the quantum-confinement regime quasi-continuous bands in k-space. This bands can be, to a certain extend, interpreted along the lines of standard band structure theory, while taking also finite size and surface effects into account. We discuss this on various prototypical nanocrystal systems.
我们讨论了量子限制纳米晶体的电子特性。特别是，我们展示了如何从小纳米晶体的离散分子态出发，随着颗粒尺寸的增加，出现近似能带结构（准能带结构）。我们发现有限温度会在能量空间中扩展离散状态，即使在量子限制 regime 中，纳米晶体也会在 k 空间中形成准连续能带。这些能带在一定程度上可以沿着标准能带结构理论的思路进行解释，同时也考虑了有限尺寸和表面效应。我们在各种典型的纳米晶体系统上讨论了这一点。
