Related papers: Alloying strategy for two-dimensional GaN optical …
As fundamental one-dimensional defects, screw dislocations profoundly reshape the energy landscape and carrier dynamics of crystalline materials. By restoring the exact algebra of the screw dislocation group, we unveil the latent symmetry…
Deep ultraviolet (UV) optical emission below 250 nm (~5 eV) in semiconductors is traditionally obtained from high aluminum containing AlGaN alloy quantum wells. It is shown here that high-quality epitaxial ultrathin binary GaN quantum disks…
Some III-V digital alloy avalanche photodiodes exhibit low excess noise. These alloys have low hole ionization coefficients due to presence of small 'minigaps', enhanced effective mass and large separation between light-hole and split-off…
The first two-dimensional (2D) polymorphs of antimony dioxide, namely, $\gamma$-Sb$_2$O$_4$ and $\delta$-Sb$_2$O$_4$, are predicted using the evolutionary algorithm combined with first-principles density functional theory (DFT)…
The study of phonon coupling in doped semiconductors via electrical transport measurements is challenging due to unwanted temperature-induced effects such as dopant ionisation and parallel conduction. Here, we study phonon scattering in 2D…
We report on the structural and electronic properties of the interface between the multiferoic oxide YMnO$_3$ and wide band-gap semiconductor GaN studied with the Hubbard-corrected local spin density approximation (LSDA+U) to…
The emerging wide bandgap BAlN alloys have potentials for improved III-nitride power devices including high electron mobility transistor (HEMT). Yet few relevant studies have been carried. In this work, we have investigated the use of the…
The Al-Ga intermixing at Al(Ga)N/GaN interfaces in nanowires and the chemical inhomogeneity in AlxGa1-xN/AlN nanodisks (NDs) are attributed to the strain relaxation process. This interpretation is supported by the three-dimensional strain…
Dilute concentrations of antimony (Sb) incorporation into GaN induce strong band-gap bowing and tunable room-temperature photoluminescence from the UV to the green spectral regions. However, the atomistic details of the incorporation of Sb…
The realization of air-stable 2D metals epitaxial to SiC and capped by graphene creates a potentially immense chemical space of 2D metals and alloys that could expand the variety of solid-state excitations unique to 2D metals beyond what is…
2D MoS2 attracts increasing attention for its application in flexible electronics and photonic devices. For 2D material optoelectronic devices, light absorption of the molecularly thin 2D absorber would be one of the key limiting factors in…
UV emitters based on the semiconductor alloy aluminium gallium nitride, (Al,Ga)N, have attracted significant interest in recent years due to their potential for optoelectronic devices. To guide the design of such devices with improved…
In this study, the structural and magnetic properties of group-IV-doped monolayer GaN were systematically investigated by first-principles calculations. Among all the group-IV dopants, only Ge and Sn atoms prefer to substitute the Ga atom…
The integration of two-dimensional $MoS_{2}$ with $GaN$ recently attracted significant interest for future electronic/optoelectronic applications. However, the reported studies have been mainly carried out using heteroepitaxial $GaN$…
Many properties of layered materials change as they are thinned from their bulk forms down to single layers, with examples including indirect-to-direct band gap transition in 2H semiconducting transition metal dichalcogenides as well as…
Electron transport studies for AlGaN/GaN two-dimensional electron gases is presented. Novel defects in the III-V nitrides are treated theoretically for two-dimensional transport. Theory of electron scattering by charged dislocation lines is…
We have addressed the existing ambiguity regarding the effect of process-induced strain in the underlying GaN layer on AlGaN/GaN heterostructure properties. The bandgaps and offsets for AlGaN on strained GaN are first computed using a cubic…
Unlike cubic GeSn, which requires a high Sn concentration to undergo an indirect-to-direct bandgap transition, lonsdaleite (2H) germanium is an intrinsic direct-gap semiconductor. We employ first-principles density functional theory to…
The electronic structure of two-dimensional (2D) semiconductors can be significantly altered by screening effects, either from free charge carriers in the material itself, or by environmental screening from the surrounding medium. The…
We performed high-throughput density functional theory calculations of optical matrix elements between band edges across a diverse set of non-magnetic two-dimensional monolayers with direct band gaps. Materials were ranked as potential…