Related papers: Cubic BeB$_2$: A metastable $p$-type conductive ma…
We briefly review the status quo of research on the putative superconductor Pb$_9$Cu(PO$_4$)$_6$O also known as LK-99. Further, we provide {\em ab initio} derived tight-binding parameters for a two- and five-band model, and solve these in…
Quasi-two-dimensional layered BiSe, a natural super-lattice with Bi2Se3-Bi2-Bi2Se3 units, has recently been predicted to be a dual topological insulator, simultaneously weak topological insulator as well as topological crystalline…
The interplay between unconventional superconductivity and the ordering of charge/spin density wave is one of the most vital issues in both condensed matter physics and material science. The Ti-based compound BaTi_2As_2O, which can be seen…
The crystal structure, superconducting properties, and electronic structure of a novel superconducting 122-type antimonide, BaPt$_2$Sb$_2$, have been investigated by measurements of powder X-ray diffraction patterns, electrical resistivity,…
Large diameter single-wall boron nanotubes (SWBNT) produced by 2%Mg-mesoporous Al2O3 catalysis show diamagnetic transition at ~ 40 K and ~ 80 K, which is a serious indication for possible superconductivity (J.Phys.Chem.C113, (2009) 17661).…
We report a high-throughput ab-initio study of the thermodynamic and superconducting proper- ties of the recently synthesized XB$_3$C$_3$ clathrates. These compounds, in which boron and carbon form a sponge-like network of interconnected…
Superconducting CuxBi2Se3 has attracted significant attention as a candidate topological superconductor. Besides inducing superconductivity, the introduction of Cu atoms to this material has also been observed to produce a number of unusual…
We report on the discovery, structural analysis, and the physical properties of Nb$_4$SiSb$_2$ -- a hitherto unknown compound crystallizing in the V$_4$SiSb$_2$-type structure with the tetragonal space group $I4/mcm$ and unit cell…
The small atomic mass of boron indicates strong electron-phonon coupling, so it may have a brilliant performance in superconductivity. Recently, a new 2D boride sheet with ordered metal vacancies and surface terminals (Mo4/3B2-x) was…
We propose a new route to achieve the superconducting state in Boron-rich solids, the hole doping of B$_{12}$ icosahedra. For this purpose we consider a prototype metallic phase of B$_{13}$C$_2$. We show that in this compound the Boron…
Based on first-principles electronic structure calculations, we analyze the chemical and magnetic mechanisms stabilizing the cubic phase in Fe$_2$-based Heusler materials, which were previously predicted to be tetragonal when being…
Here we report the synthesis and superconductivity of a novel ternary compound LaPd2Bi2. Shiny plate-like single crystals of LaPd2Bi2 were first synthesized by high-temperature solution method with PdBi flux. X-ray diffraction analysis…
Boron nitride (BN) is an exceptional material and among its polymorphs, two-dimensional (2D) hexagonal and three-dimensional (3D) cubic BN (h-BN and c-BN) phases are most common. The phase stability regimes of these BN phases are still…
With the motivation of searching for new superconductors in the Mg-B system, we performed ab initio evolutionary searches for all the stable compounds in this binary system in the pressure range of 0-200 GPa. We found previously unknown,…
The recent claimed room-temperature superconductivity in Cu-doped lead apatite at ambient pressure are under highly debate. To identify its physical origin, we studied the crystal structures, energy band structures, lattice dynamics and…
Thermoelectric materials operating at cryogenic temperatures are in high demand for efficient cooling and power generation in applications ranging from superconductors to quantum computing. The narrow band-gap semiconductor FeSb2, known for…
Considering the recent breakthroughs in the synthesis of novel two-dimensional (2D) materials from layered bulk structures, ternary layered transition metal borides, known as MAB phases, have come under scrutiny as a means of obtaining…
Be-B/B-Ta based compounds are very attractive to researchers because of their high density and ultra-hardness. But ternary Be-B-Ta compounds are neither synthesized nor predicted. In this paper, variable composition evolutionary crystal…
Using the tight-binding method for the $\pi$-bands in MgB$_2$, the Hubbard on-site Coulomb interaction on two inequivalent boron $p_z$-orbitals is transformed into expressions in terms of $\pi$-band operators. For scattering processes…
LaCo2B2 with a ThCr2Si2-type structure composed of alternately stacked La and CoB layers exhibits metallic electrical conductivity and Pauli paramagnetic behavior down to 2K. Bulk superconductivity with a Tc of ~4K emerges upon substitution…