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Inversion- and depletion-regions generally form at the interfaces between doped leads (cladding layers) and the active region of polar heterostructures like AlN/GaN and other nitride compounds. The band bending in the depletion region sets…
The effects of edge chemistry on the relative stability and electronic properties of zigzag boron nitride nanoribbons (ZBNNRs) are investigated. Among all functional groups considered, fully hydroxylated ZBNNRs are found to be the most…
The electronic and piezoelectric properties of the boron nitride (BN) nanotubes are investigated with the hybrid density functional (B3LYP) method. We first study bulk h-BN and BN sheet and find that the B3LYP band structure and energy gap…
Crystallographic point defects (PDs) can dramatically decrease the efficiency of optoelectronic semiconductor devices, many of which are based on quantum well (QW) heterostructures. However, spatially resolving individual non-radiative PDs…
Hexagonal [0001] nonpassivated ZnO nanowires are studied with density functional calculations. The band gap and Young's modulus in nanowires which are larger than those in bulk ZnO increase along with the decrease of the radius of…
Optical response of free-electron gas leads to inherent nonlinear optical behaviour of nanostructured plasmonic materials enabled via both strong local field enhancements and inherent complex electron dynamics. We present a comprehensive…
The ability to control the polarization of light at the extreme nanoscale has long been a major scientific and technological goal for photonics. Here we predict the phenomenon of polarization splitting through van der Waals heterostructures…
We investigate the effect of ferroelectric polarization direction on the geometric properties of Pd deposited on the positive and negative surfaces of LiNbO$_3$ (0001). We predict preferred geometries and diffusion properties of small Pd…
Hydrogen incorporation in diluted nitride semiconductors dramatically modifies the electronic and structural properties of the crystal through the creation of nitrogen-hydrogen complexes. We report a convergent beam electron-diffraction…
Two-dimensional (2D) hexagonal boron nitride (hBN) is a wide-bandgap van der Waals crystal with a unique combination of properties, including exceptional strength, large oxidation resistance at high temperatures and optical functionalities.…
For advanced applications in modern industry it is very important to reduce the volume of ferroelectric nanoparticles without serious deterioration of their polar properties. In many practically important cases fixed volume (rather than…
The topic of superconductivity in strongly disordered materials has attracted a significant attention. In particular vivid debates are related to the subject of intrinsic spatial inhomogeneity responsible for non-BCS relation between the…
In this paper, we address the problem of luminescence polarization in the case of nanostructures characterized by an in-plane shape asymmetry. We develop a simple semi-qualitative model revealing the mechanism that accounts for the…
We present a first-principles study of the relationship between stress, temperature and electronic properties in piezoelectric ZnO. Our method is a plane wave pseudopotential implementation of density functional theory and density…
The phasing problem of heterodyne-detected nonlinear spectroscopy states that the relative time delay between the exciting pulses and a local oscillator must be known with subcycle precision to separate absorptive and dispersive…
III-V nitride semiconductors, represented by GaN, have attracted significant research attention. Driven by the growing interest in smart micro-displays, there is a strong desire to achieve enhanced light output from even smaller…
Ferroelectrics are technologically important, with wide application in micromechanical systems, nonlinear optics, and information storage. Recent discoveries of exotic polarisation textures in these materials, which can strongly influence…
In recent years, the investigation of low-dimensional ferroelectrics has attracted great attention for their promising applications in nano devices. Piezoelectricity is one of the most core properties of ferroelectric materials, which plays…
Recently, the use of bottom-TJ geometry in LEDs, which achieves N-polar-like alignment of polarization fields in conventional metal-polar orientations, has enabled enhancements in LED performance due to improved injection efficiency. Here,…
Heterogeneous nucleation from defects dominates the electric field required for polarization switching of ferroelectrics. Here, we consider the switching of a nominally non-switchable polar thin film of AlN due to the proximity effect…