Point defect stability in a semicoherent metallic interface
We present a comprehensive density functional theory (DFT) -based study of different aspects of one vacancy and He impurity atom behavior at semicoherent interfaces between the low-solubility transition metals Cu and Nb. Such interfaces have not been previously modeled using DFT. A thorough analysis...
| Main Authors: | , , |
|---|---|
| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2015
|
| Online Access: | http://hdl.handle.net/1721.1/94529 https://orcid.org/0000-0003-3949-0441 |