Alex Zunger

TL;DR: In this paper, a linear combination of bulk bands (LBC) method was used to perform atomistic, pseudopotential electronic structure calculations for atom nanostructures. But the results showed that for large quantum dots this was largely due to the existence of level repulsion from many $X$ states.

TL;DR: In this article, a number of effects characteristic of coherent epitaxial (rather then bulk) solids are discussed, such as: (i) occurence in epitaxially form of inter-semiconductor ordered phases with no counterpart in the bulk phase diagram, reversal of the order of stability of two structural modifications of the same ordered phase, epitaxy-enhanced solid solubilities, epitaxically-induced changes of order-disorder transition temperatures, composition-pinning (lattice latching), and changes in nearest-neighbor bond lengths in

TL;DR: In this article, the dependence of the optical transitions in CdSe nanocrystals on the presence of "spectator" electrons or holes was calculated using a many-body approach based on single-particle pseudopotential wave functions.

TL;DR: It is found that the TC representation reproduces accurately the above-mentioned results of direct diagonalization of the film's Hamiltonian, providing a simple alternative to the effective-mass model and relates the properties of quantum structures to those of the bulk material.