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, †}

The DFT-derived total densities of states and the partial density of states of MX (M = Ti, Zr, Hf; X = S, Se, Te). The Fermi level is set to the zero energy.