Magnetism and piezoelectricity of hexagonal boron nitride with triangular vacancy

Zhao Lu-Si^{1, 2}, Chen Chun-Ping^{1, 2}, Liu Lin-Lin^{1, 2}, Yu Hong-Xia^{1, 2}, Chen Yi^{1, 2}, Wang Xiao-Chun^{1, 2, †}

(color online) ((a), (b)) Spin-polarized band structures with a Fermi level sets at zero energy, total density of states (TDOS) and partial density of states (PDOS) of the V_B-BN. (c) 2D plot of charge density difference of V_B-BN. (d) 3D plot of spin charge density distribution of the V_B-BN atan isovalue of 0.004 e/Å³.