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, †}

Illustrations of BZ of MX. (a) Without the SOC inclusion, six DNLs surround the K point in the k z = 0 plane and two sixfold degenerate nodal points (sixfold DNPs) locate at the Γ–A path of the BZ. (b) With the SOC inclusion, each DNL surrounding the k point will be broken into WPs with the opposite chirality, as marked by WP+ and WP-. The sixfold DNPs will be broken into two TDNPs still on the Γ–A path.