Related papers: Structural Modulation and BC8 Enrichment of Silico…
A first principles, excited state analysis is carried out to identify ways of producing silicon quantum dots with low excitonic reorganization energy. These focus on the general strategy of either reducing or constraining exciton-phonon…
Bismuth displays puzzling superconducting properties. In its crystalline equilibrium phase, it does not seem to superconduct at accessible low temperatures. However, in the amorphous phase it displays superconductivity at ~ 6 K. Under…
The structural, elastic, and electronic properties of the very recently discovered ternary silicide superconductor, Li2IrSi3, have been calculated using ab-initio technique. We have carried out the plane-wave pseudopotential approach within…
We study within a first-principle approach the band structure, vibrational modes and electron-phonon coupling in boron, aluminum and phosphorus doped silicon in the diamond phase. Our results provide evidences that the recently discovered…
Reducing the stabilization pressure of superhydrides represents one of the most important challenges in hydrogen-saturated compound chemistry. Moving in this direction, we studied the Ba-Si-H system at 0-142 GPa using transport…
Structures and parameters of some high and low temperature superconductors (HTSC, LTSC) are considered basing on the alternative estimate of the O2- ion radius magnitude (0.5-0.6) A. Phase transitions into the superconducting state are…
The ability to spatially modulate the electronic properties of solids has led to landmark discoveries in condensed matter physics as well as new electronic applications. Although crystals of strongly correlated metals exhibit a diverse set…
In spite of remarkable developments in the field of advanced materials, silicon remains one of the foremost semiconductors of the day. Of enduring relevance to science and technology is silicon's nanomechanical behaviour including phase…
The emerging all-dielectric platform exhibits high-quality ($Q$) resonances governed by the physics of bound states in the continuum (BIC) that drives highly efficient nonlinear optical processes. Here we demonstrate the robust enhancement…
Nanoindentation-induced phase transformation in silicon has been studied. A series of nanoindentations were made with the sharp diamond Berkovich tip. During nanoindentations, maximum load ranged from 2000 $\mu$N to 5000 $\mu$N, with a 1000…
(Al,Cr)2O3 coatings with Al/(Al+Cr) = 0.5 or Al = 70 at.%, doped with 0, 5 or 10 at.% Si, were deposited on hard metal and Si(100) substrates to elucidate the influence of Si on the resulting coatings. The chemical analysis of the coatings…
All-dielectric metasurfaces consisting of arrays of nanostructured high-refractive-index materials, typically Si, are re-writing what is achievable in terms of the manipulation of light. Such devices support very strong magnetic, as well as…
Classical molecular-dynamics simulations have been carried out to investigate densification mechanisms in silicon dioxide thin films deposited on an amorphous silica surface, according to a simplified ion-beam assisted deposition (IBAD)…
A new type of compositionally complex (medium- or high-entropy) M5Si3 silicides is synthesized. Both (V1/5Cr1/5Nb1/5Ta1/5W1/5)5Si3 and (Ti1/5Zr1/5Nb1/5Mo1/5Hf1/5)5Si3 form single-phase homogenous solid solutions. Notably,…
We report the prediction of metallic quasione-dimensional $sp^{3}$-hybridized silicon allotropes in the form of prismanes. Silicon prismanes or polysilaprismanes are the silicon nanotubes of a special type constructed from the…
We predict a dynamical classical superfluid-insulator transition in a Bose-Einstein condensate (BEC) trapped in a combined optical and axially-symmetric harmonic potentials initiated by a periodic modulation of the radial trapping…
Polar materials have recently attracted significant interest due to their rich multifunctional properties. The chalcogenide polar semiconductor Cu1-xMn1+ySiTe3 (Cu-deficient) is an emerging multiferroic system in which electric polarization…
Controlled breakdown has recently emerged as a highly appealing technique to fabricate solid-state nanopores for a wide range of biosensing applications. This technique relies on applying an electric field of approximately 0.6-1 V/nm across…
Density-functional calculations are presented for high-pressure structural phases of S and Se. The structural phase diagrams, phonon spectra, electron-phonon coupling, and superconducting properties of the isovalent elements are compared.…
As titanium is a highly utilized metal for structural light-weighting, its phases, transformation pathways (transition states), and structures have scientific and industrial importance. Impurities, pressure, and temperature control the…