Supplement

Optimized structure parameters along with band gap and Berry curvature values are tabulated, electronic band structures (PBE), elastic constants and stability criteria, spin-projected band structures (PBE+SOC), contour plots of the Berry curvature distribution as well as the same plotted along high-symmetry paths of MX monolayers (M = Zn, Cd; X = S, Se, Te), various components of BCD plotted against E-EF for unstrained monolayers, schematic illustration of uniaxial strain, spin-projected band structures along with Berry curvature as a line along the high symmetry k points plotted for strained monolayers, Strain-dependent evolution BCD components plotted against E-EF corresponding to ZnTe and CdTe monolayers for uniaxial strain of {plus minus}10% along with pristine and elastic constants and stability of strained monolayers are presented.

本数据集将优化后的结构参数、带隙与贝里曲率（Berry curvature）数值整理为表格；同时收录如下内容：电子能带结构（PBE）、弹性常数与稳定性判据，自旋投影能带结构（PBE+SOC），贝里曲率分布的等高线图，以及沿MX单层（M=Zn、Cd；X=S、Se、Te）高对称路径绘制的贝里曲率分布图；无应变单层的贝里曲率分布（BCD, Berry curvature distribution）各分量随E-EF的变化曲线；单轴应变的示意图；应变单层的自旋投影能带结构，以及沿高对称k点绘制的贝里曲率线图；此外还呈现了沿±10%单轴应变下，ZnTe与CdTe单层的贝里曲率分布分量随E-EF的应变依赖演化曲线，以及本征单层、应变单层的弹性常数与稳定性相关数据。