First-principles calculations based on density-functional theory have become an established
theoretical characterization toolkit to understand and predict the structural and functional …

We present an atomistic theoretical study of the temperature dependence of the competition
between Auger and radiative recombination in c-plane (In, Ga) N/GaN quantum wells with …

Random alloy fluctuations significantly affect the electronic, optical, and transport properties
of (In, Ga) N-based optoelectronic devices. Transport calculations accounting for alloy …

The current burst in research activities on disordered semiconductors calls for the
development of appropriate theoretical tools that reveal the features of electron states in …

The space-and temperature-dependent electron distribution n (r, T) is essential for the
theoretical description of the optoelectronic properties of disordered semiconductors. We …

The presence of disorder in semiconductors can dramatically change their physical
properties. Yet, models faithfully accounting for it are still scarce and computationally …

The efficiency of (In, Ga) N-based light-emitting diodes (LEDs) is limited by the failure of
holes to evenly distribute across the (In, Ga) N/Ga N multiquantum well stack that forms the …

Understanding the impact of the alloy micro-structure on carrier transport becomes important
when designing III-nitride-based light emitting diode (LED) structures. In this work, we study …

The electronic structure of highly mismatched semiconductor alloys is characterized by
carrier localization and strongly influenced by the local alloy microstructure. First-principles …

III-nitride light-emitting diodes (LEDs) exhibit an injection-dependent emission blueshift and
linewidth broadening that is severely detrimental to their color purity. By using first-principles …