Related papers: Structural Modulation and BC8 Enrichment of Silico…
Natural silicon consists of three stable isotopes with atomic mass 28 (92.21%), 29 (4.70%) and 30 (3.09%). To present day, isotopic enrichment of Si was used in electronics for two goals: (i) fabrication of substrates with high level of…
Boron and Silicon site occupancies of the T2 phase in the Cr-Si-B system were investigated experimentally and by first-principles electronic-structure calculations within the scope of the Density Functional Theory (DFT). A sample with…
Silicon telluride (Si2Te3) is a two-dimensional semiconductor with unique structural properties due to the size contrast between Si and Te atoms. A recent experiment shows that the material turns metallic under hydrostatic pressure, while…
Inspired by recent predictions of superconductivity in B-C framework clathrates, we employ density functional theory to explore potential superconductors among hexagonal hydride-substituted compounds with compositions XB$_8$C, XB$_7$C$_2$,…
We present a two-step technique for the synthesis of superconducting CuxBi2Se3. Cu0.15Bi2Se3 single crystals were synthesized using the melt-growth method. Although these samples are non-superconducting, they can be employed to generate…
Boron-based clathrate materials, typically with three-dimensional networks of B atoms, have tunable properties through substitution of guest atoms, but the tuning of B cages themselves has not yet been developed. By combining crystal…
Insulating-metallic transition mediated by substitutional atoms is predicted in a series of two-dimensional carbon-based structures. Introducing Si atoms in selected sites of tetrahexcarbon [Carbon 137 (2018) 266] according to rational…
CeNi0.8Bi2 is very recent entrant in superconductivity kitchen [1], and the same seeks reproduction from other groups. We report synthesis, structural details and superconductivity in CeNi0.8Bi2 compound. The CeNi0.8Bi2 compound is…
Silicon nanowires grown along the <100>-direction with a bulk Si core are studied with density functional calculations. Two surface reconstructions prevail after exploration of a large fraction of the phase space of nanowire…
Inherent properties of superconducting Bi2Sr2CaCu2O8+x films, such as the high superconducting transition temperature Tc, efficient Josephson coupling between neighboring CuO layers, and fast quasiparticle relaxation dynamics, make them a…
Bi-based cuprate superconductors are important materials for both fundamental research and applications. As in other cuprates, the superconducting phase in the Bi compounds lies close to an antiferromagnetic phase. Our density functional…
Silicon materials play a key role in many technologically relevant fields, ranging from the electronic to the photovoltaic industry. A systematic search for silicon allotropes was performed by employing a modified ab initio minima hopping…
Non-linear absorption phenomena induced by controlled irradiation with a femtosecond laser beam can be used to tailor materials properties within the bulk of substrates. One of the most successful applications of this technique is the…
Phase-change materials (PCMs) are increasingly recognised as promising platforms for tunable photonic devices due to their ability to modulate optical properties through solid-state phase transitions. Ultrathin and low-loss PCMs are highly…
Chalcogenide-based optical phase change materials (OPCMs) exhibit a large contrast in refractive index when reversibly switched between their stable amorphous and crystalline states. OPCMs have rapidly gained attention due to their…
Improving the critical transition temperature (TC) of Bi(Pb)SrCaCuO (B(P)SCCO) high-temperature superconductors is important, however, considerable challenges exist. In this study, on the basis of the metamaterial structure and the idea…
Novel extended networks of C8, Si8 and silicon carbide Si4C4 are proposed based on crystal chemistry rationale and optimized structures to ground state energies and derived physical properties within the density functional theory (DFT). The…
Nanometer thick cuprates are an appealing platform for devices as well as exploring the roles of dimensionality, disorder, and free carrier density in these compounds. To this end we have produced exfoliated crystals of Bi2Sr2CaCu2O8 on…
Skyrmion stabilization in novel magnetic systems with the B20 crystal structure is reported here, primarily based on theoretical results. The focus is on the effect of alloying on the 3d sublattice of the B20 structure by substitution of…
By means of first-principles calculations, we studied stable lattice structures and estimated superconducting transition temperature of CaSi$_2$ at high pressure. Our simulation showed stability of the AlB$_2$ structure in a pressure range…