The Al x Ga 1− x As/GaAs heterostructure system is potentially of great importance for many
high-speed electronics and optoelectronic devices, because the lattice parameter difference …

The development of a method for calculating the frequency-dependent second harmonic
generation coefficient of insulators and semiconductors based on the self-consistent …

Self-consistent linear muffin-tin-orbital band-structure calculations are used to investigate
the optical and structural properties of III-V semiconducting nitrides under hydrostatic …

Zinc-blende-type semiconductors differ from their diamondlike counterparts by the absence
of inversion symmetry. This produces a number of spin splittings and spin-orbit coupling …

We present a first-principles calculation of two second-order optical response functions as
well as the dielectric function for GaAs and GaP. Specifically, we evaluate the dielectric …

Abstract We present a Kohn-Sham method that allows one to treat exchange interactions
exactly within density-functional theory. The method is used to calculate lattice constants …

We develop a gauge-invariant formalism for calculating the optical properties of solids within
the random-phase approximation and the GW approach to electron bands (the independent …

The electronic structures and the linear optical dielectric functions of 18 cubic
semiconductors are studied by the first-principles orthogonalized linear-combination-of …

The quasiparticle band structures of four polytypes 3C, 6H, 4H, and 2H of GaP, GaAs, GaSb,
InP, InAs, and InSb are computed with high accuracy including spin-orbit interaction …

We generalize the Wannier interpolation of the electron-phonon matrix elements to the case
of polar-optical coupling in polar semiconductors. We verify our methodological …