Journal
PHYSICAL REVIEW B
Volume 105, Issue 6, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.105.064516
Keywords
-
Funding
- CINECA [IsC90-HTS-TECH_C]
- Vienna Scientific Cluster (VSC) [P30269-N36]
- Graz University of Technology
- Fondo AteneoSapienza
Ask authors/readers for more resources
We report a high-throughput ab initio study on the thermodynamic and superconducting properties of recently synthesized XB3C3 clathrates. These compounds, with a spongelike network of boron and carbon interconnected cages each enclosing a central X atom, have the potential to achieve high-Tc conventional superconductivity at ambient pressure.
We report a high-throughput ab initio study of the thermodynamic and superconducting properties of the recently synthesized XB3C3 clathrates. These compounds, in which boron and carbon form a spongelike network of interconnected cages each enclosing a central X atom, are attractive candidates to achieve high-T-c conventional superconductivity at ambient pressure, due to the simultaneous presence of a stiff B-C covalent network and a tunable Fermi energy due to the X atom acting as a charge reservoir. Ternary compounds like CaB3C3, SrB3C3, and BaB3C3 are predicted to exhibit T-c less than or similar to 50 K at moderate or ambient pressures, which may further increase up to 77 K if the original compounds are hole doped, by replacing the divalent alkaline earth with a monovalent alkali metal to form an ordered XYB6C6 alloy.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available