Alex Zunger

TL;DR: In this paper, the authors show theoretically how ferromagnetism results from the interaction of Mn with hole-producing intrinsic defects in chalcopyrite semiconductors.

TL;DR: In this article, the shape, size, and composition profile of semiconductor-embedded quantum dots are given, and a model consistent with both the observed material structure and measured electronic/optical properties of a quantum dot sample is established.

TL;DR: In this article, the authors introduce a DCM "figure of merit" R2(E) which is proportional to the ratio between the biexciton density of states ρXX and the single-exciton density ρX.

TL;DR: Analysis of the evolution of band-edge energies and wave functions as a function of n using ab initio density functional calculations including the long-range dispersion interaction reveals that the indirect-to-direct band gap transformation is triggered not only by (kinetic- energy controlled) quantum confinement but also by (potential-energy controlled) band repulsion and localization.

TL;DR: It is described here how the use of state- of-the-art techniques in both quantum and statistical mechanics can lead to predictions of new, stable, and ordered semiconductor alloys.