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To find candidates for long-lived high-K isomers in even-even Z=106-112 superheavy nuclei we study dominant alpha-decay channel of two- and four-quasi-particle configurations at a low excitation. Energies are calculated within the…
We explore elemental Si, Ge and Sn free-standing slabs in diamond, clathrate and other competing structures and evaluate their stability by comparing Kohn-Sham total energies at the same atoms/area coverage $\rho$. We find that within 3-6…
Group IV vacancy color centers in diamond are promising spin-photon interfaces with strong potential for applications for photonic quantum technologies. Reliable methods for controlling and stabilizing their charge state are urgently needed…
The structural and electronic properties of amorphous silicon ($a$-Si) are investigated by first-principles calculations based on the density-functional theory (DFT), focusing on the intrinsic structural defects. By simulated melting and…
Jellium model achieved great success in predicting stable clusters with closed electronic shells and zero spin. In order to explain the stability of open shell clusters, it is necessary to consider the case of non-degenerate energy levels.…
A new class of exact quantum solutions of QCD is presented. These solutions have negative energy and are stable to all fluctuations. The lowest-energy solution state is explicitly constructed and proposed as a candidate for the QCD vacuum.…
Measurements of the $^2$H($^{16}$C,$^{16}$C$^{*}$$\rightarrow^4$He+$^{12}$Be or $^6$He+$^{10}$Be)$^2$H inelastic excitation and cluster-decay reactions have been carried out at a beam energy of about 23.5 MeV/u. A specially designed…
Silicon carbide (SiC) is one of the major cosmic dust components in carbon-rich environments. However, the formation of SiC dust is not well understood. In particular, the initial stages of the SiC condensation (i.e. the SiC nucleation)…
The behaviour of two-dimensional patchy particles with 5 and 7 regularly-arranged patches is investigated by computer simulation. For higher pressures and wider patch widths, hexagonal crystals have the lowest enthalpy, whereas at lower…
Silicene is becoming one of the most important two-dimensional materials. In this work, EEL Spectra were calculated for alfa-silicene (flat), and beta-silicene (low-buckled, and theoretically the most stable). Band structures were…
Some of the stable isotopes of silicon and carbon have zero nuclear spin, whereas many of the other elements that constitute semiconductors consist entirely of stable isotopes that have nuclear spins. Silicon and diamond crystals composed…
With few systems of technological interest having been studied as extensively as elemental silicon, there currently exists a wide disparity between the number of predicted low-energy silicon polymorphs and those, which have been…
Two-dimensional (2D) group V elemental materials have attracted widespread attention due to their nonzero band gap while displaying high electron mobility. Using first-principles calculations, we propose a series of new elemental bilayers…
High-entropy alloys (HEAs), which have been intensely studied due to their excellent mechanical properties, generally refer to alloys with multiple equimolar or nearly equimolar elements. According to this definition, Si-Ge-Sn alloys with…
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…
In this article we report the results of global structural optimization of the Si(114) surface, which is a stable high-index orientation of silicon. We use two independent procedures recently developed for the determination of surface…
Sub-oxides with the anti-perovskite structure constitute a large part of the interstitial stabilized compounds with novel chemical and physical properties, especially in the systems containing rare earth elements and/or early transition…
Our numerical calculations on small carbon clusters point to the existence of a metastable three-dimensional eight-atom cluster C$_8$ which has a shape of a six-atom triangular prism with two excess atoms above and below its bases. We gave…
Clusters of solid-state quantum devices have long-living metastable states of local energy minima which may be used to store quantum information. The low to vanishing rate of dissipation fulfils the prerequisite to maintain quantum…
In this article, we present our results on bilayers assembled upon strategic placement of Cd$_6$Se$_6$ clusters. These bilayers are studied for their stability and electronic structure with the help of density functional theory and are…