Author : Jordan Ang
Publisher :
ISBN 13 : 9780494400708
Total Pages : 292 pages
Book Rating : 4.4/5 (7 download)
Book Synopsis A Computational Investigation of Zinc Selenide and Cadmium Selenide Nanocrystallite Surface Effects Using a Tight-binding Technique by : Jordan Ang
Download or read book A Computational Investigation of Zinc Selenide and Cadmium Selenide Nanocrystallite Surface Effects Using a Tight-binding Technique written by Jordan Ang and published by . This book was released on 2007 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work is a theoretical investigation of surface effects on the electronic and optical properties of quantum dots. Computations are done using the atomistic Empirical Tight-Binding method based on a nearest-neighbour approximation. Surface effects are "turned off" or "turned on" by respectively passivating surface dangling bonds or allowing them to hang freely. Considered are passivated and unpassivated ZnS and CdS; mixed ZnCdS alloy; and core/shell ZnS/CdS and CdS/ZnS semiconductor nanocrystallites, all at various sizes ranging between & sim;13--46 A in diameter. The computational results show that passivated crystallites yield clean bandgaps that increase in size as crystallite size decreases, causing a monotonic blue shift in the position of the corresponding absorption onset. When the surface is left unpassivated, surface states populate energies in and around the fundamental bandgap. Their locations, however, are not size dependant and consequently the corresponding optical spectra are also devoid of monotonic size dependencies.