Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1562252 | Computational Materials Science | 2011 | 6 Pages |
Abstract
⺠We have performed first-principles computations on orthorhombic NaAlF4. ⺠Orthorhombic NaAlF4 is mechanically stable and behaves in a brittle manner. ⺠Orthorhombic NaAlF4 has a direct band gap at Πpoint.
Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
Qi-Jun Liu, Zheng-Tang Liu, Li-Ping Feng, Hao Tian,