Table 1 Examples of various classes of 2D topological materials using spillage (η) and Wannier calculations.
Formula | JID | Spg. | Eg (eV) | η | Ef (meV/atom) | TopoClass | Tc (K) |
|---|---|---|---|---|---|---|---|
Bi2TeI | 6901 | \({\mathrm{P}}\bar 3{\mathrm{m}}1\) | 0.053 | 3.1 | 43.9 | QSHI | – |
BiI | 6955 | C2/m | 0.145 | 3.1 | 77.7 | QSHI | – |
HfTe5 | 19987 | Pmmn | 0.074 | 0.61 | 88.3 | QSHI | – |
TaIrTe2 | 6238 | P21/m | 0.034 | 1.02 | 100.4 | QSHI | – |
ZrFeCl6 | 13600 | P312 | 0.011 | 1.01 | 72.0 | QAHI | 5.3 |
CoBr2 | 6034 | \({\mathrm{P}}\bar 3{\mathrm{m}}1\) | 0.019 | 1.00 | 75.5 | QAHI | 17.7 |
VAg(PSe3)2 | 60525 | C2 | 0.018 | 0.50 | 74.7 | QAHI | – |
Ti2Te2P | 27864 | \({\mathrm{P}}\bar 3{\mathrm{m}}1\) | 0.0 | 1.06 | 58.9 | NM-Semi | – |
ZrTiSe4 | 27780 | P2/m | 0.0 | 2.00 | 96.1 | NM-Semi | – |
MoS2 | 730 | \({\mathrm{R}}\bar 3{\mathrm{m}}\) | 0.0 | 0.98 | 89.4 | NM-Semi | – |
AuTe2 | 27775 | \({\mathrm{P}}\bar 3{\mathrm{m}}1\) | 0.0 | 0.50 | 317.6 | NM-Semi | – |
MnSe | 14431 | P4/nmm | 0.0 | 0.82 | 81.8 | M-Semi | – |
FePSe3 | 27940 | \({\mathrm{P}}\bar 3{\mathrm{m}}1\) | 0.0 | 1.07 | 74.9 | M-Semi | 148.3 |
FeTe | 6667 | P4/nmm | 0.0 | 1.2 | 90.2 | M-Semi | 224.7 |
CoO2 | 31379 | C2/m | 0.0 | 2.01 | – | M-Semi | – |
TiCl3 | 13632 | \({\mathrm{P}}\bar 3{\mathrm{m}}1\) | 0.0 | 0.62 | 72.4 | M-Semi | – |
VBr2O | 6832 | Pmmm | 0.0 | 0.45 | 67.7 | M-Semi | – |
Co (OH)2 | 28106 | C2/m | 0.0 | 2.1 | – | M-Semi | – |
