載入...
An Ab Initio Study of Vacancies in Disordered Magnetic Systems: A Case Study of Fe-Rich Fe-Al Phases
We have performed quantum-mechanical calculations to examine the impact of disorder on thermodynamic, structural and electronic (magnetic) properties of Fe-Al systems with vacancies. A series of supercells was used and their properties were computed employing density-functional theory (DFT) as imple...
Na minha lista:
| 發表在: | Materials (Basel) |
|---|---|
| Main Authors: | , , , , |
| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
MDPI
2019
|
| 主題: | |
| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6539047/ https://ncbi.nlm.nih.gov/pubmed/31052537 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma12091430 |
| 標簽: |
添加標簽
沒有標簽, 成為第一個標記此記錄!
|