Year: 2017
Type: article
Abstract: By using first-principles calculations and a $k\ifmmode\cdot\else\textperiodcentered\fi{}p$ model analysis, we propose that the three-dimensional topological nodal line semimetal state can be realized in the ${\mathrm{CaP}}_{3}$ family of materials, which includes ${\mathrm{CaP}}_{3},{\mathrm{CaAs}}_{3},{\mathrm{SrP}}_{3},{\mathrm{SrAs}}_{3}$, and ${\mathrm{BaAs}}_{3}$, when spin-orbit coupling (SOC) is ignored. The closed topological nodal line near the Fermi energy is protected by time reversal symmetry and spatial inversion symmetry. Moreover, drumheadlike two-dimensional surface states are also obtained on the $c$-direction surface of these materials. When SOC is included, the gaps open along the nodal line and these materials become strong topological insulators with ${Z}_{2}$ indices as $(1;010)$.
Authors: Qiunan Xu, Rui Yu, Zhong Fang, Xi Dai, Hongming Weng
Language: Latvian
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2519537844