First-Principles Approaches to Metals, Alloys, and Metallic Compounds
oleh: Richard Dronskowski
| Format: | Article |
|---|---|
| Diterbitkan: | MDPI AG 2018-09-01 |
Deskripsi
At the beginning of the 21st century, electronic-structure theory has matured to a degree that allows for accurate phase prediction and computational characterization of various kinds of materials; in particular, elemental metals adopting whatever allotropic structure, various intermetallic compounds, and other complex metal-rich phases. [...]