Topological nodal-line semimetals in alkaline-earth stannides, germanides and silicides
arXiv:1605.04050 · doi:10.1103/PhysRevB.93.201114
Abstract
Based on first-principles calculations and an effective Hamiltonian analysis, we systematically investigate the electronic and topological properties of alkaline-earth compounds (=Ca, Sr, Ba; =Si, Ge, Sn). Taking BaSn as an example, we find that when spin-orbit coupling is ignored, these materials are three-dimensional topological nodal-line semimetals characterized by a snake-like nodal loop in three-dimensional momentum space. Drumhead-like surface states emerge either inside or outside the loop circle on the (001) surface depending on surface termination, while complicated double-drumhead-like surface states appear on the (010) surface. When spin-orbit coupling is included, the nodal line is gapped and the system becomes a topological insulator with Z topological invariants (1;001). Since spin-orbit coupling effects are weak in light elements, the nodal-line semimetal phase is expected to be achievable in some alkaline-earth germanides and silicides.
13 pages, 5 figures
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