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Updated: Aug 6, 2025
Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Quasi-band structure of quantum-confined nanocrystals
Marius Buerkle1, Mickaël Lozac'h2, Davide Mariotti3
1National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, Japan. marius.buerkle@aist.go.jp.
Abstract:
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.
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