The electronic and optical properties of MB12 (M = Zr, Hf, Y, Lu) dodecaboride compounds

2013-01-01
Korozlu, N.
Sürücü, Gökhan
We have presented the results of ab initio investigations on the structural, electronic and optical properties of MB12 (M = Zr, Hf, Y, Lu) dodecaboride compounds. Especially, the lattice parameters, bond distances, bulk modulus, electronic band structure, density of state, optical properties and their related quantities such as dielectric constants, refraction index and energy-loss function are calculated, and it is shown that the compounds have a metallic character and a large static dielectric constant. Our structural results are in agreement with the available experimental and other theoretical data.
Citation Formats
N. Korozlu and G. Sürücü, “The electronic and optical properties of MB12 (M = Zr, Hf, Y, Lu) dodecaboride compounds,” pp. 0–0, 2013, Accessed: 00, 2021. [Online]. Available: https://hdl.handle.net/11511/88983.