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The addition of alloying elements plays an essential role in helium (He) behaviours produced by transmutation in metal alloys. Effects of solutes (Ni, Cr, Ti, P, Si, C) on the behaviours of He and He-He pair in face-centred cube (fcc) iron…
The behaviors of hydrogen (H) in MAX phase material Ti3SiC2 have been investigated using first-principles method. We show that a single H atom prefers to stay 1.01 {\AA} down of the Si vacancy with solution energy of about -4.07 eV,…
The divacancy comprising two neighboring vacant sites in the SiC lattice is a promising defect for applications in quantum technology. So far, most work is concerned with the divacancy in 4H-SiC, whereas the divacancies in 6H- and 3C-SiC…
Energetics of Cs defects at Sigma3 grain boundaries of 3C-SiC has been studied using density functional theory to understand the role of the grain boundaries in Cs diffusion and its eventual release from the tristructural isotropic fuel…
Cesium (Cs) is a radioactive fission product whose release is of concern for Tristructural-Isotropic (TRISO) fuel particles. In this work, Cs diffusion through high energy grain boundaries (HEGBs) of cubic-SiC is studied using an ab-initio…
Silicon carbide (SiC) is an important semiconductor material for fabricating power electronic devices that exhibit higher switch frequency, lower energy loss and substantial reduction both in size and weight in comparison with its Si-based…
The unique electrical and material properties of 4H-silicon-carbide (4H-SiC) make it a promising candidate material for high rate particle detectors. In contrast to the ubiquitously used silicon (Si), 4H-SiC offers a higher carrier…
We report on the lattice location of the short-lived ion implanted nuclear probe 6He (t1/2=807 ms) in diamond, which was performed using the beta emission channeling method at CERN's ISOLDE facility. 6He was implanted with 30 keV into a…
beta-Ga2O3 is a wide bandgap semiconductor with electrical properties better than SiC and GaN which makes it promising for applications of next-generation power devices. However, the thermal conductivity of \b{eta}-Ga2O3 is more than one…
Although point defects in solids are one of the most promising physical systems to build functioning qubits, it remains challenging to position them in a deterministic array and to integrate them into large networks. By means of advanced ab…
We report first-principles calculations that clarify the formation energies and charge transition levels of native point defects and carbon clusters in the 4H polytype of silicon carbide (4H-SiC) under a carbon-rich condition. We applied a…
We provide a first-principles modeling of the beta-Ga2O3/3C-SiC interface that takes into account the reconstructions occurring at the 3C-SiC (001) surface by oxidation, aiming to mimic the actual deposition process under the best…
Cubic silicon carbide (3C-SiC) is an emerging material for high power and new generation devices, but the development of high quality 3C-SiC layer still represents a scientific and technological challenge especially when grown on a Si…
Silicon carbide (SiC) is a wide band gap semiconductor and an attractive candidate for applications in harsh environments such as space, fusion, or future high luminosity colliders. Due to the large band gap, the leakage currents in SiC…
We report first principles ab initio density functional calculations of hydrogen dynam- ics in hydrogenated amorphous silicon. Thermal motion of the host Si atoms drives H diffusion, as we demonstrate by direct simulation and explain with…
We predict a dynammical classical superfluid-insulator transition (CSIT) in a Bose-Einstein condensate (BEC) trapped in an optical and a magnetic potential. In the tight-binding limit, this system realizes an array of weakly-coupled…
Neutral silicon-carbon divacancy (V$_{Si}$V$_{C}$) in cubic silicon carbide (3C-SiC) is a promising class of point defects for quantum technologies based on active crystalline centers. Within the theoretical framework of spin-polarized…
The results of RHEED, FTIR and Raman spectroscopy study of silicon and germanium films with the thickness up to 200 nm grown from molecular beams on dielectric Si$_3$N$_4$/SiO$_2$/Si(001) substrates are presented. Noticeable changes of the…
Recent ab initio calculations [Mattausch et al., Phys. Rev. B 70, 235211 (2004)] of carbon clusters in SiC reveal a possible connection between the tricarbon antisite (C_3)_Si and the U photoluminescence center in 6H-SiC [Evans et al.,…
We have studied diffusion pathways of a silyl radical adsorbed on the hydrogenated Si (100)-(2x1) surface by density-functional theory. The process is of interest for the growth of crystalline silicon by plasma-enhanced chemical vapor…