Structural, mechanical, and electronic properties of Zr – Te compounds from first-principles calculations

Wang Peng¹, Zhang Ning-Chao^{1, †}, Jiang Cheng-Lu², Liu Fu-Sheng², Liu Zheng-Tang³, Liu Qi-Jun^{2, ‡}

Calculated charge densities of Zr–Te compounds: (a) ZrTe (Pnma) (010), (b) ZrTe (P-6m2) (111), (c) ZrTe₃ (010), (d) ZrTe₅ ( 11¯0 ), (e) Zr₃Te (010), (f) Zr₂Te (010), (g) Zr₅Te₆ (111), and (h) Zr₅Te₄ (111).