Alex Zunger

TL;DR: In this paper, the electronic structure of hydrogen fluoride chains is calculated using the small-periodic-cluster approach by representing some high-symmetry points in the Brillouin zone of the infinite solid by the one-electron energies of a finite periodic structure.

TL;DR: Although bulk III-V alloys exhibit phase separation, vapor-phase epitaxial growth of Ga 0.5 In 1.5 P/GaAs (001) at ≃900-1000 K shows spontaneous ordering into the (111)-oriented mono-layer GaP 1 (InP) 1 superlattice (the «CuPt» structure).

TL;DR: In this paper, the predicted excitonic spectra for hydrogen-passivated Si dots were analyzed and the predicted splitting between dark and bright excitons, arising from Coulomb and exchange interactions, was shown to be consistent with the optical data of Calcott, Nash, Canham, Kane, and Brumhead.

TL;DR: In this article, a significant family of compounds predicted by simplistic electronic structure theory to be metals but are, in fact, insulators is dealt with, and the significance of this electronic configuration is that it might be unstable towards the formation of states inside the internal band gap when the formation costs less energy than the energy gained by transferring carriers from the conduction band to these lower energy acceptor states, changing the original (false) metal to an insulator.

TL;DR: It is shown that one-electron theory explains the magnitudes and the trends in the mean-field part of the observed transition energies (evaluated as differences in total energies), and many-electrons contributions are found to be sizable.