Structural, elastic, and electronic properties of topological semimetal WC-type <i>MX</i> family by first-principles calculation

Structural, elastic, and electronic properties of topological semimetal WC-type MX family by first-principles calculation

Ullah Sami^{1, 2}, Wang Lei^{1, 3}, Li Jiangxu^{1, 3}, Li Ronghan^{1, 3}, Chen Xing-Qiu^{1, †}

DFT-derived band structures around the WP node at (a) k z = 0.003 , (b) k z = 0.007 , and (c) k z = 0.010 (exactly corresponding to the WP node) for HfSe. The derived Wilson loops along the k_y evaluation of the Berry phases of all occupied bands along the k_x direction in both (d) k z = 0 and (e) k z = π planes.