相关论文: Defect identification based on first-principles ca…
Spectroscopic mapping by scanning transmission electron microscopy coupled with electron energy loss spectroscopy (STEM-EELS) is a powerful technique for determining the structure and chemistry of a wide range of materials and interfaces.…
Mesoscopic circuit elements such as quantum dots and quantum point contacts (QPCs) offer a uniquely controllable platform for engineering complex quantum devices, whose tunability makes them ideal for generating and investigating…
Precise prediction of phase diagrams in molecular dynamics (MD) simulations is challenging due to the simultaneous need for long time scales, large length scales and accurate interatomic potentials. We show that thermodynamic integration…
Nuclear recoils in crystal detectors generate radiation damage in the form of crystal defects that can be measured in scientific-grade CCDs as local hot spots of leakage current stimulated by temperature increases in the devices. In this…
The purpose of this project is to investigate the use of charge couple devices (CCDs) to detect electrons directly. This can be done in transmission electron microscopy (TEM) for electrons over 100 KeV, but for space plasma instruments,…
In the research of condensed matter, atomistic dynamic simulations play a crucial role, particularly in revealing dynamic processes, phase transitions and thermodynamic statistics macroscopic physical properties in systems such as solids…
Diagnostic diagrams of forbidden lines have been a useful tool for observers in astrophysics for many decades now. They are used to obtain information on the basic physical properties of thin gaseous nebulae. Some diagnostic diagrams are in…
Density functional theory paired with a first order many-body perturbation theory correction is applied to determine formation energies and charge transition energies for point defects in bulk In_0.53Ga_0.47As and for models of the…
Chalcogen vacancies are considered to be the most abundant point defects in two-dimensional (2D) transition-metal dichalcogenide (TMD) semiconductors, and predicted to result in deep in-gap states (IGS). As a result, important features in…
The irradiation represents a useful tool for determining the characteristics of defects in semiconductors as well as a method to evaluate their degradation, fact with important technological consequences. In this contribution, starting from…
We present experimental evidence that the motion of point defects in thermal convection patterns in an inclined fluid layer is well-described by Tsallis statistics with an entropic index $q \approx 1.5$. The dynamical properties of the…
The DFT-$\frac{1}{2}$ method is a band gap correction with GW precision at a DFT computational cost. The method was also extended to correct the gap between defect levels, allowing for the calculation of optical transitions. However, this…
We use molecular dynamics simulations for a first principles-based effective Hamiltonian to calculate two important quantities characterizing the electrocaloric effect in BaTiO$_3$, the adiabatic temperature change $\Delta T$ and the…
Charge-based quantum computation can be attained through reliable control of single electrons in lead-less quantum systems. Single-charge transitions in electrically-isolated double quantum dots (DQD) realised in phosphorus-doped silicon…
Dual-energy computed tomography (DECT) is a promising technology that has shown a number of clinical advantages over conventional X-ray CT, such as improved material identification, artifact suppression, etc. For proton therapy treatment…
Experimental nuclear level densities at excitation energies below the neutron threshold follow closely a constant-temperature shape. This dependence is unexpected and poorly understood. In this work, a fundamental explanation of the…
When a quantum dot is subjected to a thermal gradient, the temperature of electrons entering the dot can be determined from the dot's thermocurrent if the conductance spectrum and background temperature are known. We demonstrate this…
We present the most accurate up-to-date theoretical values of the {2p_{1/2}}-{2s} and {2p_{3/2}}-{2s} transition energies and the ground-state hyperfine splitting in ${\rm Sc}^{18+}$. All two- and three-electron contributions to the energy…
The latest generation of transistors are nanoscale devices whose performance and reliability are limited by thermal noise in low-power applications. Therefore developing efficient methods to compute the voltage and current fluctuations in…
Thomson scattering (TS) diagnostics provide reliable, minimally perturbative measurements of fundamental plasma parameters, such as electron density ($n_e$) and electron temperature ($T_e$). Deep neural networks can provide accurate…