Van Hove singularity induced phonon-mediated superconductivity above 77 K in hole-doped SrB3C3

Polymer Research at the State Key Laboratory of Supramolecular Structure and Materials, Jilin University

“…We could find the band (denoted n = 2) provides abundant H electronic states at Fermi level by analysis of FS sheets, resulting remarkable H density of electronic states and a van Hove singularity near the Fermi level. The appearance of van Hove singularity of light elements near the Fermi level contributes to the increase of Tc 50,51 .…”

Superconducting Ce2P3 and CeP2 with an interesting planar P layer

“…So far, most high- T c compounds shared a common feature: their superconductivity is predominantly driven by specific building blocks. 8,17–24 These building blocks encompass a diverse range of hydrogen (H) configurations, including one-dimensional (1D) H nanotubes in HfH 9 , 17 H 7 chains in GaH 7 , 18 2D layers comprising H 5 pentagons in HfH 10 or H 9 nonagons in XH 15 (where X = Ca, Sr, Y, and La), 19,20 and 3D H cages in LaH 10 and Li 2 MgH 16 . 8,21 Additionally, there are non-H building blocks like 2D B layers in MgB 2 or BC layers in LiB 2 C 2 , 22,23 as well as 3D BC cages in Rb 0.4 Sr 0.6 B 3 C 3 .…”

“…8,21 Additionally, there are non-H building blocks like 2D B layers in MgB 2 or BC layers in LiB 2 C 2 , 22,23 as well as 3D BC cages in Rb 0.4 Sr 0.6 B 3 C 3 . 24 In light of this, the conceptualization of superconductors with innovative building blocks holds significant importance. Such an approach not only promises the discovery of potential high- T c superconductors but also contributes to expanding our understanding of elemental attributes.…”

Computational Screening and Stabilization of Boron-Substituted Type-I and Type-II Carbon Clathrates

“…The polyhedral cages, which are typically composed of 4-, 5-, and 6-membered rings, take on a variety of geometries depending on the specific structure type and pack to fill three-dimensional space. Numerous clathrates with frameworks composed of water molecules, the group-14 elements, and silica are already known. − Carbon clathrates were first postulated after the formation of silicon clathrates, but despite decades of intensive research, pure carbon clathrate phases have not been produced to date. − If formed, carbon clathrates would represent diamond-like superhard materials with compressive and tensile strengths predicted to exceed those of diamond. , With vacant cages, these tetrahedrally coordinated lattices are predicted to be wide-gap semiconductors, but the introduction of guest atoms within the cages provides opportunities to tune the electronic structure to produce covalent metals and high- T c conventional superconductors. − Low-frequency guest rattling modes found in these structures are also relevant to thermoelectric materials with low thermal conductivities …”