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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

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