In the materials manufacturing sector, energy efficiency, sustainability, and economic
viability have become increasingly important to industry and society in recent years …

In recent years, optical second-harmonic generation has matured into a versatile and
powerful technique for probing the electronic and structural properties of buried solid–solid …

A self-consistent scheme for determining the optimal fraction of exact exchange for full-range
hybrid functionals is presented and applied to the calculation of band gaps and dielectric …

We present GW calculations for small and large gap systems comprising typical
semiconductors (Si, SiC, GaAs, GaN, ZnO, ZnS, CdS, and AlP), small gap semiconductors …

Elastic constants for zinc-blende and wurtzite AlN, GaN, and InN are obtained from density-
functional-theory calculations utilizing ab initio pseudopotentials and plane-wave …

This book focuses on the theory of phonon interactions in nanoscale structures with
particular emphasis on modern electronic and optoelectronic devices. The continuing …

The group III nitrides (AlN, GaN and InN) represent an important trio of semiconductors
because of their direct band gaps which span the range 1.95-6.2 eV, including the whole of …

We present a general scheme of range-separated hybrid functionals in which the mixing
parameters of Fock exchange are fully nonempirical and determined solely from the …

The disparity in the masses of the atomic constituents of GaN means that the usually-
assumed mode of decay of a long-wavelength LO mode into two LA modes is forbidden …

We report first-principles calculations of the structural, dielectric, and lattice-dynamical
properties for wurtzite and zinc-blende GaN. The structural properties are calculated using a …