Theoretical study on the structural, mechanical, electronic properties and QTAIM of CrB<sub>4</sub> as a hard material

Theoretical study on the structural, mechanical, electronic properties and QTAIM of CrB₄ as a hard material

Li Xiao-Hong^{1, 2, †}, Cui Hong-Ling¹, Zhang Rui-Zhou¹

(color online) The electron localization functions of three-dimensional framework for Pnnm-CrB₄ with ELF equaling to 0.8 and 0.5, respectively. The large and small spheres represent the Cr and B atoms, respectively.