Band gap bowing in NixMg1−xO

Band gap bowing in NixMg1−xO

Epitaxial transparent oxide NixMg1-xO (0 ≤ x ≤ 1) thin films were grown on MgO(100) substrates by pulsed laser deposition. High-resolution synchrotron X-ray diffraction and high-resolution transmission electron microscopy analysis indicate that the thin films are compositionally and structurally homogeneous, forming a completely miscible solid solution. Nevertheless, the composition dependence ...

Origin of the large band-gap bowing in highly mismatched semiconductor alloys

Atomic-scale structure and band-gap bowing in Cu(In,Ga)Se2

Mixed systems such as the Cu(In,Ga)Se2 chalcopyrite semiconductor consist of different local atomic arrangements, that is, of different combinations of first-nearest-neighbor cations surrounding the Se anions. The anion position of Cu-III-VI2 compounds is predicted to strongly influence the material band gap. We therefore used extended x-ray absorption fine structure spectroscopy to study the a...

Large and composition-dependent band gap bowing in InxGa1−xN alloys

We present theoretical and experimental results for the band gap of InxGa1−xN alloys, showing significantly larger bowing than has been commonly assumed. We highlight the importance of properly including strain in the experimental analysis. Using X-ray diffraction (XRD) and Rutherford backscattering spectrometry the layers in our study were determined to be pseudomorphically strained. The In co...

Visible-light absorption and large band-gap bowing of GaN1−xSbx from first principles

Applicability of the Ga(Sbx)N1−x alloys for practical realization of photoelectrochemical water splitting is investigated using first-principles density functional theory incorporating the local density approximation and generalized gradient approximation plus the Hubbard U parameter formalism. Our calculations reveal that a relatively small concentration of Sb impurities is sufficient to achie...