| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1562219 | Computational Materials Science | 2011 | 4 Pages |
Abstract
⺠We calculate the free energy at different electronic temperatures with different volumes. ⺠The convergence tests are carefully carried out to obtain accurate vacancy formation enthalpies. ⺠The monovacancy formation enthalpy increases as the increment of the electronic temperature.
Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
ShiQuan Feng, XinLu Cheng,