Superconductivity in the Li-B-C system at 100 GPa

Prediction of superconductivity in metallic boron–carbon compounds from 0 to 100 GPa by high-throughput screening

“…It can be found that LiB 3 C has a high EPC at 100 GPa, which has been confirmed to be a superconductor by calculating EPC in the full Brillouin zone in our previous paper. 25 Besides LiB 3 C at 100 GPa, we also identified four phases for further study, namely, CaB 3 C (50 GPa), SrB 3 C (75 GPa), TiB 3 C (50, 75 and 100 GPa) and VB 3 C (75 and 100 GPa).…”

“…It can be found that LiB 3 C has a high EPC at 100 GPa, which has been confirmed to be a superconductor by calculating EPC in the full Brillouin zone in our previous paper. 25 Besides LiB 3 C at 100 GPa, we also identified four phases for further study, namely, CaB 3 C (50 GPa), SrB 3 C (75 GPa), TiB 3 C (50, 75 and 100 GPa) and VB 3 C (75 and 100 GPa). It can be found that the phonon dispersion can be separated into two regions: the lower frequency modes (typically below 7.5 THz) are mainly associated with Sr atoms, and the higher frequency modes can be attributed to boron and carbon atoms.…”

“…Using high-throughput density functional theory calculations on 105 XYB 6 C 6 structures constructed by replacing Sr with two different metals in SrB 3 C 3 , Geng et al proposed 18 new superconductors, and KPbB 6 C 6 was predicted with an ambient-pressure T c of 88 K. 24 In our previous paper, we also identified a new carbon–boron clathrate LiB 3 C with eight four-sided faces and four six-sided faces (4 8 6 4 ) to be a conventional superconductor ( T c ∼ 22 K) at 100 GPa. 25 Considering that element substitution in a prototype superconducting structure is a feasible strategy to obtain new superconductors, in this paper, we employed a high-throughput fast screening method of electron–phonon interaction to extend the investigation of possible superconductivity in the LiB 3 C structure framework by replacing Li atoms with 27 different cations at 0, 25, 50, 75 and 100 GPa. This method is highly effective in screening candidates for superconductivity in large materials databases.…”

Pressure‐Driven Polymorphic Transition, Emergent Insulator‐To‐Metal Transition, and Photoconductivity Switching in Violet Phosphorus

“…The relationship of the upper critical magnetic field μ 0 H c2 and T c is fitted by the Ginzburg-Landau equation. [40] During the revision of this paper, we noticed that Cheng et al reported the superconducting behavior of violet phosphorus at higher pressures, [32] where the T c actually shows an intriguing double-dome shape with the increasing pressure, which is similar to that in black phosphorus. [26] These electrical transport behaviors exhibited in violet phosphorus and black phosphorus have provided insight into research on superconductivity in non-metallic elements that can transform into metal.…”

“…[30] Lately, Cheng et al have just reported a high-pressure study on violet phosphorus, which focuses on the anisotropic transport behaviors. [32] Excellent phase stability, simple synthesis conditions, high carrier mobility, and the large bandgap make violet phosphorus a promising candidate for high-performance optoelectronic devices. Herein, we report comprehensive HP studies on violet phosphorus.…”