相关论文: High-pressure synthesis of boron-rich chalcogenide…
Niobium chloride (Nb3Cl8) is a layered 2D semiconducting material with many exotic properties including a breathing kagome lattice, a topological flat band in its band structure, and a crystal structure that undergoes a structural and…
We report Raman light scattering in the phase separated superconducting single crystal Rb0.77Fe1.61Se2 with Tc = 32 K. The spectra have been measured in a wide temperature range 3K -500K. The observed phonon lines from the majority vacancy…
It has been suggested that hydrogen may metallise at lower pressures if it is ``precompressed''. Here we introduce a search strategy for predicting high-pressure structures and apply it to silane using first-principles electronic structure…
In this paper, we report a new boron nitride molecular structure called BN-nanobelt, an inorganic analog of (12) cyclophenacene synthesized in 2017. An extensive investigation using Density Functional Theory (DFT) and Quantum Molecular…
To investigate the pressure-induced structural transitions of chromium dioxide (CrO$_{2}$), phonon dispersions and total energy band structures are calculated as a function of pressure. The first structural transition has been confirmed at…
Boron nitride exhibits diverse crystal structures, predominantly a layered arrangement with strong intraplanar covalent bonds and weak interplanar van der Waals bonds. While commonly referred to as hexagonal BN (hBN), the sp$^2$-bonded BN…
We study superconductivity in Boron using first-principles LAPW calculations, the rigid-muffin-tin approximation and the McMillan theory. Our results point to an electron-phonon mechanism producing transition temperatures near 10K at high…
The tetradymite compound BiSbTeSe$_2$, is one of the most bulk-insulating three-dimensional topological insulators, which makes it important in the topological insulator research. It is a member of the solid-solution system…
In contrast to carbon, which forms long polymeric chains, all-nitrogen chains are very unstable. Here we found that nitrogen and hydrogen directly react at room temperature and pressures of about 35 GPa forming a mixture of nitrogen…
Exploring high-temperature superconducting (high-$T_c$) material at ambient pressure holds immense significance for physics, chemistry, and materials science. In this study, we perform a high-throughput screening of strong electron-phonon…
We explore the emergence of phonon-mediated superconductivity in bilayer borophenes by controlled intercalation with elements from the groups of alkali, alkaline-earth, and transition metals, using systematic first-principles and Eliashberg…
We synthesized single crystals of the new hexagonal compounds A$_2$Cu$_3$SnF$_{12}$ with A=Cs and Rb, and investigated their magnetic properties. These compounds are composed of Kagom\'{e} layers of corner-sharing CuF$_6$-octahedra.…
Microstructure and mechanical properties of bulk polycristalline rhombohedral boron subnitride B13N2 synthesized by crystallization from the B-BN melt at 7 GPa have been systematically studied by micro- and nanoindentation, atomic force…
Boron synthesis, in theory: Although two-dimensional boron sheets have attracted considerable interest because of their theoretically predicted properties, synthesis of such sheets remains a challenge. The feasibility of different synthetic…
The comment of Dubrovinskaia et al. is scientifically flawed. The high-pressure form of boron, discovered by Oganov et al., is indeed new and its bonding has a significant ionic character, as demonstrated in Ref. 1.
We have measured polarized Raman scattering spectra of the Fe$_{1-x}$Co$_{x}$Sb$_{2}$ and Fe$_{1-x}$Cr$_{x}$Sb$_{2}$ (0$\leq x\leq $0.5) single crystals in the temperature range between 15 K and 300 K. The highest energy $B_{1g}$ symmetry…
The high-pressure synthesis is one of the most promising methods to produce MgB2 superconductive (SC) material. The available high-pressure apparatuses have working volume up to 100 cm3 which allows samples up to 60 mm in diameter to be…
Boron carbide, a lightweight, high temperature material, has various applications as a structural material and as a neutron absorber. The large solubility range of carbon in boron, between $\approx$ 9% and 20%, stems from the…
Hydrogen-rich superhydrides are promising high-Tc superconductors, with superconductivity experimentally observed near room temperature, as shown in recently discovered lanthanide superhydrides at very high pressures, e.g. LaH10 at 170 GPa…
The accurate charge density of MgB2 was observed at room temperature(R.T.) and 15K by the MEM(Maximum Entropy Method)/Rietveld analysis using synchrotron radiation powder data. The obtained charge density clearly revealed the covalent…