Effective Band Structure and Crack Formation Analysis in Pseudomorphic Epitaxial Growth of (InGa)O Alloys: A First-Principles Study.

GaO is a promising material for power electronic applications. Alloying with InO is used for band gap adjustment and reduction of the lattice mismatch. In this study, we calculate the effective band structure of 160-atom (InGa)O supercells generated using special quasi-random structures where indium atoms preferentially substitute octahedral gallium sites in β-GaO.

Synthesis and Characterization of Novel Nanoparticles of Lithium Aluminum Iodate LiAl(IO), and DFT Calculations of the Crystal Structure and Physical Properties.

Here we report on the non-hydrothermal aqueous synthesis and characterization of nanocrystalline lithium aluminum iodate, LiAl(IO). Morphological and compositional analyses were carried out by using scanning electron microscopy (SEM) and energy-dispersive X-ray measurements (EDX). The optical and vibrational properties of LiAl(IO) have been studied by UV-Vis and IR spectroscopy.