Three-dimensional topological insulators in the supercubane-like lattice: Phase diagram, surface state and spin texture

•We present the supercubane-like lattice as a candidate of 3D topological insulator.•Strong topological insulator with Z2Z2 invariants (1;0001;000) and (1;1111;111) can be realized.•Surface states and spin texture are analyzed and discussed.

We study a tight-binding model of the supercubane-like lattice with spin–orbit coupling. By evaluating the Z2Z2 topological indices, we find that the supercubane-like lattice can support strong topological insulator and the phase diagrams of the lattice with different filling fractions are present. Strong topological insulators with Z2Z2 invariants (1;000)(1;000) and (1;111)(1;111) can be realized for 1/8 filling fraction and semimetals can be obtained for 1/8, quarter and half filling fractions. We analyze and discuss the characteristics of these topological insulators and their surface states. Spin textures of surface states are also evaluated for 11¯1 slab geometry.