| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7761462 | Journal of Solid State Chemistry | 2012 | 7 Pages |
Abstract
⺠This paper systematically studied the physical properties of zircon-type YVO4 from first-principles calculations. ⺠Zircon-type YVO4 is mechanically stable and it is ductile for B/G>1.75 and v>0.26. ⺠Universal elastic anisotropy index AU for zircon-type YVO4 is 2.41, so YVO4 is anisotropic. ⺠V-O bonds with shorter bond length and larger Mulliken population make greater contribution to the hardness of YVO4.
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
Zuocai Huang, Jing Feng, Wei Pan,