Table 1 Calculated equilibrium lattice constants, system band gaps, magnetic moment, and topological phase of planar and buckled M-Bi honeycombs
From: Prediction of Quantum Anomalous Hall Effect in MBi and MSb (M:Ti, Zr, and Hf) Honeycombs
M-Bi | Lattice constant (Å) | Band gap (meV) | Phase | Classification | Mag. (μ B ) | |
---|---|---|---|---|---|---|
Planar | TiBi | 4.76 | 15 | QAH | Insulator | 1.050 |
ZrBi | 4.96 | −3 | QAH | Semi-metal | 1.005 | |
HfBi | 4.92 | 7 | QAH | Insulator | 0.947 | |
Buckled | TiBi | 3.9 | −12 | – | Semi-metal | 1.085 |
ZrBi | 4.01 | 10 | – | Insulator | 1.046 | |
HfBi | 3.98 | −54 | QAH | Semi-metal | 1.005 |