Related papers: Oxygen vacancy formation in ZnSeTe blue quantum do…
In the framework of real-time time-dependent density functional theory (RT-TDDFT) we unravel the layer-resolved dynamics of the electronic structure of a (Fe)$_1$/(MgO)$_3$(001) multilayer system after an optical excitation with a frequency…
Inspired by experiments on Bose-Einstein condensates in optical lattices, we study the quantum evolution of dark soliton initial conditions in the context of the Bose-Hubbard Hamiltonian. An extensive set of quantum measures is utilized in…
The use of robust, inorganic charge-transport materials is always desired in quantum-dot light emitting diodes (QLEDs) because they are expected to allow higher stability and less cost than that of organic counterparts. Here we report an…
By using DFT+U, we explore the formation of oxygen vacancies and their impact on the electronic and magnetic structure in strained bulk LaNiO3 and (LaNiO3)$_1$/(LaAlO3)$_1$(001) superlattices. For bulk LaNiO3, we find that epitaxial strain…
In heavy-ion collisions, an abundant production of high-energy QCD jets allows to study how these multiparticle sprays are modified as they pass through the quark-gluon plasma. In order to shed new light on this process, we compute the…
A near-band-edge bluish electroluminescence (EL) band centered at around 440 nm was observed from ZnO p-i-n homojunction diodes through a semi-transparent electrode deposited on the p-type ZnO top layer. The EL peak energy coincided with…
In this paper, I demonstrate a density functional theory plus dynamical mean field theory study on the electronic properties of doped $TiO_2$ rutile as well as another tetragonal phase anatase with oxygen vacancy. The density of states and…
The defect stability in a prototypical perovskite oxide superlattice consisting of SrTiO$_3$ and PbTiO$_3$ (STO/PTO) is determined using first principles density functional theory calculations. Specifically, the oxygen vacancy formation…
The authors theoretically investigate quantum confinement and transition energies in quantum wells (QWs) asymmetrically positioned in wrinkled nanomembranes. Calculations reveal that the wrinkle profile induces both blue- and redshifts…
We demonstrate a thermodynamic formulation to quantify defect formation energetics in an insulator under high electric field. As a model system, we analyzed neutral oxygen vacancies (color centers) in alkaline-earth-metal binary oxides…
{\it Ab initio} calculations within density functional theory with generalized gradient approximation have been performed to study the effects of oxygen vacancies on the electronic structure and magnetism in undoped V$_2$O$_{5-x}$ ($0 < x <…
We investigate the quantum null energy condition (QNEC) in holographic CFTs, focusing on half-spaces and particular classes of states. We present direct, and in certain cases nonperturbative, calculations for both the diagonal and off-…
Similarities between alkali gases in optical lattices with non-integer occupation of the lattice sites and quantum crystals are explored. The analogy with the vacancy liquid (VL) provides an alternative explanation to the Mott transition…
We have examined the formation mechanisms of GaN quantum dots (QDs) via annealing of Ga droplets in a nitrogen flux. We consider the temperature and substrate dependence of the size distributions of droplets and QDs, as well as the relative…
In recent years, advancements in semiconductor manufacturing technology have enabled the formation of high-quality, high-mobility two-dimensional electron gases in zinc oxide (ZnO) heterostructures, making the electrostatic formation of…
Low internal and external quantum efficiencies in high Aluminium content AlGaN-based deep-ultraviolet light-emitting diode (DUV-LED) occurred due to strong polarization effects, spontaneous and piezoelectric polarization, at the interface…
Perovskite oxynitride photocatalysts were reported by experiment to evolve small amounts of N$_2$ due to the self-oxidation of nitrogen ions by photo-generated holes. The N$_2$ evolution rate was observed to decrease with increasing…
We report on evidence from lattice simulations that confinement is produced by dual superconductivity of the vacuum in full QCD as in quenched QCD. Preliminary information is obtained on the order of the deconfining phase transition.
Lighting and display, relying on electric and optical down-conversion emission with sluggish power efficiency, account for >15% global electricity consumption1,2. In 2014, quantum-dot (QD) LEDs (QLEDs) with near-optimal external quantum…
In this work, we analyze dead layer comprising non-polar monoclinic (m) phase in $Hf_xZr_{1-x}O_2$ (HZO)-based ferroelectric (FE) material using first principles analysis. We show that with widely used tungsten (W) metal electrode, the…