Abstract
The electronic structure and the lattice dynamics of N-doped 3C-SiC have been studied using the first-principles calculations. Electrons are introduced to the conduction band bottom at the X-point of the Brillouin zone. It is revealed that the acoustical modes and optical modes soften upon N doping. The softened acoustical modes contribute over twice of what the optical modes do to the electron-phonon coupling strength. We predict that the superconductivity will occur with N doping concentration beyond about 3 at.% and the transition temperature can reach 11.36 K upon doping of N at about 5 at.% for 3C-SiC.
Original language | English |
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Article number | 1750116 |
Journal | Modern Physics Letters B |
Volume | 31 |
Issue number | 12 |
DOIs | |
Publication status | Published - 30 Apr 2017 |
Externally published | Yes |
Keywords
- electron-phonon coupling
- N-doped SiC
- superconductivity