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Certain alumino-silicates display exotic properties enabled by their framework structure made of corner-sharing tetrahedral rigid units. Using \textit{in situ} diamond-anvil cell x-ray diffraction (XRD), we study the pressure-induced…
The molecular structure of a 3d 5 configuration ion in a trigonal ligand field is theoretically established on the basis of the 252\times252 complete energy matrice. The optical absorption and the electron paramagnetic resonance spectra of…
We investigate the phase diagram of the heterostructural solid solution (InxGa1-x)2O3 both computationally, by combining cluster expansion and density functional theory, and experimentally, by means of TEM measurements of pulsed laser…
Cubic GaN layers were grown by plasma-assisted molecular beam epitaxy on 3C-SiC (001)substrates. In situ reflection high energy electron diffraction was used to quantitatively determine the Ga coverage of the GaN surface during growth.…
We study the effects of insulating oxides in their crystalline forms on the energy band structure of monolayer and bilayer graphene using a \textit{first principles} density functional theory based electronic structure method and a local…
A few theoretical models predict Fe to display both ferromagnetic and antiferromagnetic phases, depending on the volume of the unit cell. A proper choice of the substrate allows the growth of thin Fe overlayers with structures different…
The pressure-induced polymorphism of binary octect compounds has long been considered a settled problem although the possible atomic disordering of some phases remains a puzzling observation. Taking GaP as a case study, we conclude, through…
SrAl2Si2 crystallizes into either a semimetallic, CaAl2Si2-type, \alpha phase or a superconducting, BaZn2P2-type, \beta phase. We explore possible \alpha --Pc;Tc--> \beta transformations by employing pressure- and temperature-dependent…
We study an alloy system where short-ranged, thermally-driven diffusion competes with externally imposed, finite-ranged, athermal atomic exchanges, as is the case in alloys under irradiation. Using a Cahn-Hilliard-type approach, we show…
Structural and electronic properties of amorphous and single-phase polycrystalline films of gamma- and kappa-In2Se3 have been measured. The stable gamma phase nucleates homogeneously in the film bulk and has a high resistivity, while the…
We experimentally discovered that Al2O3 and MgO exhibit well-pronounced nanometric modifications on the surfaces when irradiated under grazing incidence with 23 MeV I beam, in contrast to normal incidence irradiation with the same ion beam…
A photoionized gas in thermal equilibrium can display a thermal instability, with 3 or more solutions in the multi-branch region of the S-shape curve giving the temperature versus the radiation-to-gas-pressure ratio. Many studies have been…
We use hybrid functionals and restricted self-consistent GW, state-of-the-art theoretical approaches for quasiparticle band structures, to study the electronic states of delafossite Cu(Al,In)O$_2$, the first p-type and bipolar transparent…
We have studied the dependence of metal oxide properties in molecular dynamics (MD) simulations on the polarizability of oxygen ions. We present studies of both liquid and crystalline structures of silica (SiO2), magnesia (MgO) and alumina…
Atomic layer deposition (ALD) is an essential tool in semiconductor device fabrication that allows the growth of ultrathin and conformal films to precisely form heterostructures and tune interface properties. The self-limiting nature of the…
The authors report micro-Raman investigation of changes in the single and bilayer graphene crystal lattice induced by the low and medium energy electron-beam irradiation (5 and 20 keV). It was found that the radiation exposures results in…
Recent advances of highly efficient solar cells based on organic-inorganic halide perovskites have triggered intense research efforts to establish the fundamental properties of these materials. In this work, we utilized diamond anvil cell…
We employ a time-dependent Schr\"odinger equation to study the evolution of a $c\bar c$ dipole in a quark-gluon plasma (QGP). Medium effects on the heavy-quark potential in the QGP are found to significantly affect the timescales of the…
Two-dimensional layered and atomically thin elemental superconductors may be key ingredients in next-generation quantum technologies, if they can be stabilized and integrated into heterostructured devices under ambient conditions. However,…
We solve analytically the out-of-equilibrium initial stage that follows the injection of a radially finite electron beam into a plasma at rest and test it against particle-in-cell simulations. For initial large beam edge gradients and not…