Fig. 4: Calculated electronic and topological properties of ZrTe5 monolayers.
From: Realization of monolayer ZrTe5 topological insulators with wide band gaps
a, b Orbital-decomposed band structures without and with the SOC for phase I. Here, the orthorhombic cell in Fig. 2c is used. The colored balls represent the atomic orbital compositions, and the sizes of the balls are proportional to their contributions, with ‘22’-Ted-py, ‘22’-Tez-px/‘22’-Tez-py, ‘22’-Tea-py, and ‘22’-Zr-\(d_{z^2}\) representing Ted, Tez, Tea atomic p-orbitals, and Zr atomic d-orbitals in ‘22’-type prisms, respectively. c Topological edge states of phase I in a semi-infinite slab perpendicular to the prism stripe (namely, perpendicular to the a-axis). The color bar represents the dimensionless magnitude of the projected edge density of states (DOS), with the warmer colors denoting a higher local DOS (LDOS) and the blue region denoting the bulk band gap. d Calculated LDOS of the bulk (gray shaded) and edge (red) states of phase I. e–h Same as (a–d) but for phase II.
