| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1591061 | Solid State Communications | 2016 | 5 Pages |
Abstract
Using first principle calculations method, we calculated the structural stability, electronic properties and hardness for three Re-doped hexagonal W2B5 compounds. The electronic properties were carried out to discuss the effect of doped Re on the conductivity, chemical bonding components and orbital hybridization of W2B5. What is more, the hardness of these three doped crystals was calculated by a semiempirical method considering the role of metallic components. A Re-doped W2B5 compound with a greater hardness value than that of pure W2B5 was obtained. And the effect of doping on the hardness of hexagonal W2B5was discussed.
Related Topics
Physical Sciences and Engineering
Materials Science
Materials Science (General)
Authors
ShiQuan Feng, XiaoDong Li, Lei Su, HaiNing Li, Hongyan Yang, Xinlu Cheng,