Potential Semiconducting and Superconducting Metastable Si3C Structures under Pressure
At a Glance
Section titled âAt a Glanceâ| Metadata | Details |
|---|---|
| Publication Date | 2017-12-14 |
| Journal | Chemistry of Materials |
| Authors | Guoying Gao, Xiaowei Liang, N. W. Ashcroft, Roald Hoffmann |
| Institutions | Cornell University, Yanshan University |
| Citations | 6 |
Abstract
Section titled âAbstractâSi3C is predicted to take on a diamond type structure (space group: I4Ě 2d), at P = 1 atm, consistent with the experimental results on a cubic Si0.75C0.25 alloy. This structure is computed to be a semiconductor with a direct band gap of about 1.3 eV, within the desired values. Under pressure, Si3C may transform to metastable metallic R3Ě m-2 and R3Ě m-3 structures at about 25 and 250 GPa, respectively. Both are layered structures with six-coordinate Si and unusual six-coordinate carbon atoms. The R3Ě m-1 and R3Ě m-2 structures are both estimated to be superconductors with Tc of a few Kelvin. This is the first time that superconductivity in undoped silicon carbides is calculated.
Tech Support
Section titled âTech SupportâOriginal Source
Section titled âOriginal SourceâReferences
Section titled âReferencesâ- 1998 - SiC materials and devices