Evolution of the electronic structure with size in II-VI semiconductor nanocrystals

Abstract

In order to provide a quantitatively accurate description of the band gap variation with sizes in various II-VI semiconductor nanocrystals, we make use of the recently reported tight-binding parametrization of the corresponding bulk systems. Using the same tight-binding scheme and parameters, we calculate the electronic structure of II-VI nanocrystals in real space with sizes ranging between 5 and 80 Å in diameter. A comparison with available experimental results from the literature shows an excellent agreement over the entire range of sizes.

17 pages, 4 figures, accepted in Phys. Rev. B

References in corpus (5)

• Correlated Electrons in High Temperature Superconductors
• Influence of quantum confinement on the ferromagnetism of (Ga,Mn)As diluted magnetic semiconductor
• Realistic Tight Binding Model for the Electronic Structure of II-VI Semiconductors
• Exciton states and optical properties of CdSe nanocrystals
• An accurate description of quantum size effects in InP nanocrystallites over a wide range of sizes

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• First principles study of structural stability and electronic structure of CdS nanoclusters
• Theory of highly excited semiconductor nanostructures including Auger coupling: exciton-bi-exciton mixing in CdSe nanocrystals
• Antiferromagnetic order in (Ga,Mn)N nanocrystals: A density functional theory study
• First-principles calculations of the magnetic properties of (Cd,Mn)Te nanocrystals
• Half-Metallicity in Smallest Cage-like Cluster of CdTe with Doping of Transition Metal Atoms
• Accurate energy-size dependence of excitonic transitions in semiconductor nanocrystals and nanoplatelets using a phase jump approach