Chemical bonding dictates drastic critical temperature difference in two seemingly identical superconductors
Though YB6 and LaB6 share the same crystal structure, atomic valence electron
configuration, and phonon modes, they exhibit drastically different phonon-mediated …
configuration, and phonon modes, they exhibit drastically different phonon-mediated …
Pressure-induced boron clathrates with ambient-pressure superconductivity
Element B in binary metal borides forms various polymetric configurations due to its electron-
deficient nature. Here we predict a new pressure-stabilized boron clathrate structure, LaB8 …
deficient nature. Here we predict a new pressure-stabilized boron clathrate structure, LaB8 …
A superconducting boron allotrope featuring anticlinal pentapyramids
Z Cui, Q Yang, X Qu, X Zhang, Y Liu… - Journal of Materials …, 2022 - pubs.rsc.org
Finding allotropes with novel structures and intriguing properties is of great interest from
both fundamental and applicable standpoints. Here, we propose a hitherto unknown boron …
both fundamental and applicable standpoints. Here, we propose a hitherto unknown boron …
Hard and superconducting cubic boron phase via swarm-intelligence structural prediction driven by a machine-learning potential
Boron is an intriguing element due to its electron deficiency and the ability to form
multicenter bonds in allotropes and borides, exhibiting diversified structures, unique …
multicenter bonds in allotropes and borides, exhibiting diversified structures, unique …
Pressure-Driven Evolution of the Covalent Network in
We synthesized and solved an unexpectedly complex crystal structure of CaB 6 under high
pressures<? format?>(up to 44 GPa) and temperatures. The only known crystal structure in …
pressures<? format?>(up to 44 GPa) and temperatures. The only known crystal structure in …
Pressure-induced polymorphism in and deformation mechanisms of covalent networks
We study the high-pressure structures of SrB 6 up to 200 GPa using first-principles structure
prediction calculations and high-pressure x-ray diffraction experiments. The computations …
prediction calculations and high-pressure x-ray diffraction experiments. The computations …
Electron counting and high-pressure phase transformations in metal hexaborides
HWT Morgan, AN Alexandrova - Inorganic Chemistry, 2022 - ACS Publications
Pressure-induced structural transitions of the alkaline earth hexaborides, CaB6, SrB6, and
BaB6, are studied theoretically using electron counting rules and density functional theory …
BaB6, are studied theoretically using electron counting rules and density functional theory …
A novel two-dimensional MgB 6 crystal: metal-layer stabilized boron kagome lattice
Based on first-principles calculations, we designed for the first time a boron-kagome-based
two-dimensional MgB6 crystal, in which two boron kagome layers sandwich a triangular …
two-dimensional MgB6 crystal, in which two boron kagome layers sandwich a triangular …
Stability and superconductivity of Ca-B phases at ambient and high pressure
S Shah, AN Kolmogorov - Physical Review B—Condensed Matter and …, 2013 - APS
In the search for MgB 2-like phonon-mediated superconductors we have carried out a
systematic density functional theory study of the Ca-B system, isoelectronic to Mg-B, at …
systematic density functional theory study of the Ca-B system, isoelectronic to Mg-B, at …
Pressure-stabilized MnB 6 that exhibits high-temperature ferromagnetism and high ductility at ambient pressure
Metal borides are of significant interest because of their high strength, high melting point,
superconductivity and magnetism. Here, a combination of swarm-intelligence structural …
superconductivity and magnetism. Here, a combination of swarm-intelligence structural …