Related papers: First-Principles Exploration of Defect-Pairs in Ga…
Electrically-active defects have a significant impact on the performance of electronic devices based on wide band-gap materials such as diamond. This issue is ubiquitous in diamond science and technology, since the presence of charge traps…
First-principles calculations of substitutional defects and vacancies are performed for zigzag-edged hybrid C/BN nanosheets and nanotubes which recently have been proposed to exhibit half-metallic properties. The formation energies show…
Here, we report the performance of vacancy affected supercell of a hybrid Graphene-Boron Nitride embedded armchair nanoribbon (a-GNR-BN) based n-MOSFET at its ballistic transport limit using Non Equilibrium Green's Function (NEGF)…
We investigate acceptor and donor states in GaN nanocrystals doped with a single substitutional impurity. Quantum dots (QD's) of zinc-blende structure and spherical shape are considered with the radius ranging from 4.5 to 67.7 A. The…
Exposure of matter to high energy, heavy ions induces defects along the trajectories of the ions through electronic and nuclear energy loss processes. Defects, including color centers, can recombine or form along latent damage tracks in…
We present a group theoretical and ab-initio analysis of lattice point defects in fluorographene, with a focus on neutral and negative $\text{V}_{\text{CF}}$ vacancies. By using a combination of density functional theory calculations and…
We present a computational study on the topology, energetics and structural deformations for a large number of experimentally observed defect configurations in graphene. We find that both the number of lost hexagonal carbon rings and…
We created dense ensembles of negatively charged nitrogen-vacancy (NV-) centers in diamond by neutron and electron irradiation for applications in hybrid quantum systems and magnetometry. We characterize fluorescence intensity, optical and…
We report a study of the 3E excited-state structure of single nitrogen-vacancy (NV) defects in diamond, combining resonant excitation at cryogenic temperatures and optically detected magnetic resonance. A theoretical model of the…
Motivated by the need for fast timing detectors to withstand up to 2 MGy of ionizing dose at the High Luminosity Large Hadron Collider, prototype low gain avalanche detectors (LGADs) have been fabricated in single pad configuration, 2x2…
We develop a low-energy field theory for electrically charged crystals. Using the tools of fracton-elasticity duality, generalized to accommodate the magnetic 1-form symmetry of electromagnetism, we show how the elastic and electromagnetic…
Using atomistic quantum simulation based on a tight binding model, we investigate the formation of energy gap Eg of graphene nanomesh (GNM) lattices and the transport characteristics of GNM-based electronic devices (single potential barrier…
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…
Deviations from the perfect atomic arrangements in crystals play an important role in affecting their properties. Similarly, diffusion of such deviations is behind many microstructural changes in solids. However, observation of point defect…
VN precipitates used to strengthen ARAFM steels for fusion applications dissolve under high Fe ion irradiation (100 dpa at 10^-3 dpa s^-1, 600 C). This study examined point defects and solute substitutions using atom probe tomography,…
The outstanding properties of high-purity germanium (HPGe) detectors, such as excellent energy resolution, high energy sensitivity, and a low background-to-signal ratio, make them essential and ideal candidates for detecting particle…
Carbon doping is used to obtain semi-insulating GaN crystals. If the carbon doping concentration exceeds $5*10^{17}$ $cm^{-3}$, the carbon atoms increasingly form triatomic clusters. The tri-carbon defect structure is unambiguously proven…
We present a theoretical study of vibrational and vibronic properties of a point defect in the dilute limit by means of first-principles density functional theory calculations. As an exemplar we choose the negatively charged…
We have studied the effect of photoelectrons on defect formation in graphene during extreme ultraviolet (EUV) irradiation. Assuming the major role of these low energy electrons, we have mimicked the process by using low energy primary…
We have studied the electronic structure of the diluted magnetic semiconductor Ga$_{1-x}$Mn$_{x}$N ($x$ = 0.0, 0.02 and 0.042) grown on Sn-doped $n$-type GaN using photoemission and soft x-ray absorption spectroscopy. Mn $L$-edge x-ray…