Related papers: Strain and crystal field splitting inversion in II…
We have investigated the effects of hydrostatic pressure and compressive biaxial strain on the $\Gamma$-point energy states of GaN and InN with zincblende crystal structure via first-principles DFT+HSE06 computation. To correctly reproduce…
To make complementary GaN electronics more than a pipe dream, it is essential to understand the low mobility of 2D hole gases in III-Nitride heterostructures. This work derives both the acoustic and optical phonon spectra present in one of…
In this work, the effect on crystallite orientation, surface morphology, fractal geometry, structural coordination and electronic environment of DC magnetron sputtered AlN films were investigated. X-ray diffraction results disclosed that…
We report density functional theory calculations on the crystal structure, elastic, lattice dynamics and electronic properties of iso-structural layered monoclinic alkali azides, LiN3 and NaN3. The effect of van der Waals interactions on…
By direct magnetization measurements, performed employing a new detection scheme, we demonstrate an electrical control of magnetization in wurtzite (Ga,Mn)N. In this dilute magnetic insulator the Fermi energy is pinned by Mn ions in the…
Crystal phase semiconductor heterostructures allow for electron confinement without uncertainties caused by chemical intermixing found in material heterostructures and are candidates for next generation optoelectronics devices ranging from…
Inorganic nitrides with wurtzite crystal structures are well-known semiconductors used in optoelectronic devices. In contrast, rocksalt-based nitrides are known for their metallic and refractory properties. Breaking this dichotomy, here we…
Wurtzite-type Al$_{1-x}$Sc$_x$N solid solutions grown by metal organic chemical vapour deposition are for the first time confirmed to be ferroelectric. The film with 230 nm thickness and x = 0.15 exhibits a coercive field of 5.5 MV/cm at a…
The investigation of small size embedded nanostructures, by a combination of complementary anomalous diffraction techniques, is reported. GaN Quantum Dots (QDs), grown by molecular beam epitaxy in a modified Stranski-Krastanow mode, are…
Accurate values for polarization discontinuities between pyroelectric materials are critical for understanding and designing the electronic properties of heterostructures. For wurtzite materials, the zincblende structure has been used in…
A ferromagnetic coupling between localized Mn spins was predicted in a series of \textit{ab initio} and tight binding calculations and experimentally verified for the dilute magnetic semiconductor Ga$_{1-x}$Mn$_x$N. In the limit of small Mn…
Strain has a crucial effect on the optical and electronic properties of nanostructures. We calculate the atomistic strain distribution in silicon nanocrystals up to a diameter of 3.2 nm embedded in an amorphous silicon dioxide matrix. A…
Recent advances in microelectromechanical systems often require multifunctional materials, which are designed so as to optimize more than one property. Using density functional theory calculations for alloyed nitride systems, we illustrate…
We analyze the electronic properties of interacting crystal field split three band systems. Using a rotationally invariant slave boson approach we analyze the behavior of the electronic mass renormalization as a function of the intralevel…
We report on our investigation of the electrical properties of metal/Al2O3/GaN metal-insulator-semiconductor (MIS) capacitors. We determined the conduction band offset and interface charge density of the alumina/GaN interface by analyzing…
The elastic, electronic and optical properties of MNNi3 (M= Zn, Sn and Cu) have been calculated using the plane-wave ultrasoft pseudopotential technique which is based on the first-principles density functional theory (DFT) with generalized…
The nitrides of group III metals: AlN, GaN and InN are very important materials due to their applications for short wavelength opto-electronics (light-emitting diodes and laser diodes). It is essential for the realization of such novel…
The results of first-principles electronic structure calculations for the nitrogen-rich nickel nitrides $ {\rm NiN} $ and $ {\rm Ni_2N} $ are presented. The calculations are based on density functional theory and used the generalized…
Aluminum nitride (AlN) is an emerging material for integrated quantum photonics due to its large $\chi^{(2)}$ nonlinearity. Here we demonstrate the hybrid integration of AlN on silicon nitride (SiN) photonic chips. Composite microrings are…
The structural, electronic, optical and vibrational properties of LiN$_3$ under high pressure have been studied using plane wave pseudopotentials within the generalized gradient approximation for the exchange and correlation functional. The…