相关论文: Attractive interaction of Indium with point defect…
Layered indium selenide (InSe), a new two-dimensional (2D) material with a hexagonal structure and semiconducting characteristic, is gaining increasing attention owing to its intriguing electronic properties. Here, by using first-principles…
Using first principles calculations we have studied the formation energies, electron and hole affinities, and electronic levels of intrinsic point defects in zircon. The atomic structures of charged interstitials, vacancies, Frenkel pairs…
We present an ab initio study of dopant-dopant interactions in beryllium-doped InGaAs. We consider defect formation energies of various interstitial and substitutional defects and their combinations. We find that all…
The hyperfine interaction of an electron with nuclei in the annealed self-assembled InAs/GaAs quantum dots is theoretically analyzed. For this purpose, the annealing process, and energy structure of the quantum dots are numerically modeled.…
We use density functional theory to study intrinsic defects and oxygen related defects in indium selenide. We find that ${InSe}$ is prone to oxidation, but however not reacting with oxygen as strongly as phosphorene. The dominant intrinsic…
The interactions between chemical phase fields and structural defects play a key role in the properties of alloys. We illustrate the importance of these interactions in driven alloys, where defects are continuously being created, with…
Molecular hydrogen in silicon has been studied by path-integral molecular dynamics simulations in the canonical ensemble. Finite-temperature properties of these point defects were analyzed in the range from 300 to 900 K. Interatomic…
The electrical field gradient (EFG), measured e.g. in perturbed angular correlation (PAC) experiments, gives particularly useful information about the interaction of probe atoms like 111In / 111Cd with other defects. The interpretation of…
Defects of Ge quantum dot arrays may affect the electrophysical, photoelectrical or optical properties of Ge/Si heterostructures as well as the functionality of devices produced on their basis. The defects of Ge quantum dot arrays formed at…
Non-ionising energy loss of radiation produces point defects and defect clusters in silicon, which result in a signifcant degradation of sensor performance. In this contribution results from TSC (Thermally Stimulated Current) defect…
We present an analysis on the sensitivity to the active-sterile neutrino mixing with Germanium (Ge) and Silicon (Si) detectors in the context of the proposed coherent elastic neutrino-nucleus experiment in India. The study has been carried…
The photo-luminescence features of Ge-oxygen defect centers in a 100nm thick Ge-doped silica film on a pure silica substrate were investigated by looking at the emission spectra and time decay detected under synchrotron radiation excitation…
We characterize germanium-vacancy GeVn complexes in silicon using first-principles Density Functional Theory calculations with screening-dependent hybrid functionals. We report on the local geometry and electronic excited states of these…
Controlling the contamination of silicon materials by iron, especially dissolved interstitial iron (Fe$_{\mathrm{i}}$), is a longstanding problem with recent developments and several open issues. Among these we have the question whether…
Isoscaling and its relation to the symmetry energy in the fragmentation of excited residues produced at relativistic energies were studied in two experiments conducted at the GSI laboratory. The INDRA multidetector has been used to detect…
By using first-principles calculation, the interaction of O2 and H2O molecules with the pristine and the defective InSe monolayers is studied. It is predicted that the single Se and In vacancies exhibit significantly enhanced chemical…
In this contribution, the correlation between fundamental interaction processes induced by radiation in silicon and observable effects which limit the use of silicon detectors in high energy physics experiments is investigated in the frame…
We theoretically study the nuclear spin induced decoherence of a quantum dot in Si that is confined at a SiGe interface. We calculate decoherence time dependence on $^{73}$Ge in the barrier layer to evaluate the importance of Ge as well as…
Diffusion mediated interaction in metal-substrate assembly during high temperature annealing leads to possible formation of new composite materials. Here, sputtered grown Ti films on Si3N4/Si substrate has been reported to produce titanium…
In the present Ph.D. Thesis we report an experimental investigation on the effects of gamma- and beta-ray irradiation and of subsequent thermal treatment on many types of a-SiO2 materials, differing in the production methods, OH- and…