Superconducting topological Dirac semimetals: -Si and -NaSi
arXiv:2303.17953 · doi:10.1103/PhysRevB.107.115127
Abstract
We theoretically propose that hexagonal silicon-based crystals, -Si and -NaSi, are topological Dirac semimetals with superconducting critical temperatures of 12 K and 13 K, respectively, at ambient pressure. Band inversion occurs with the Fu-Kane topological invariant , even in the absence of spin-orbit coupling. The Dirac nodes protected by crystal rotational symmetry remain gapless with spin-orbit coupling. Using first-principles calculations, we find pressure-induced topological phase transitions for -Si and -NaSi with critical external pressures of 11.5 GPa and 14.9 GPa, respectively. Above the critical pressures, the Dirac bands are gapped with , while the superconducting states and the crystal symmetries are retained.Our results may shed light into a search for silicon-based topological materials with superconductivity.
arXiv comment12 pages, 11 figures
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