First-principles calculations of indirect Auger recombination in nitride semiconductors

Auger Recombination in GaAs from First Principles

Auger recombination is a significant loss mechanism in many optoelectronic devices. We use first-principles methods based on density functional theory to study the relative importance of direct and indirect phonon-assisted Auger recombination in GaAs and related alloys. Energy and momentum of the recombining electron−hole pair can be transferred to an Auger electron (eeh process) or an Auger ho...

Accurate first-principles detailed-balance determination of auger recombination and impact ionization rates in semiconductors.

The technologically important prediction of Auger recombination lifetimes in semiconductors is addressed by means of a fully first-principles formalism, based on precise energy bands and wave functions provided by the full-potential linearized augmented plane wave code. The minority carrier Auger lifetime is determined by two related approaches: (i) a direct evaluation within Fermi's golden rul...

Auger recombination in sodium-iodide scintillators from first principles

First Principles Calculations

Calculations of the linestrengths and transition frequencies of the forbidden pure rotational spectrum of Hz in the vibrationally excited v2 state are presented. These transitions occur in the far-infrared region, and their observation may be complicated by vi u2 difference transitions. Examples of these are also given. Forbidden rovibrational transition frequencies and linestrengths have also ...

First Principles Calculations of Charge and Spin Density Waves of √ 3 - Adsorbates on Semiconductors

We present ab-initio electronic structure results on the surface of √ 3 × √ 3 adsorbates. In particular, we address the issue of metal-insulator instabilities, charge-density-waves (CDWs) or spin-density-waves (SDWs), driven by partly filled surface states and their 2D Fermi surface, and/or by the onset of magnetic instabilities. The focus is both on the newly discovered commensurate CDW transi...