First-Principles Approaches to Metals, Alloys, and Metallic Compounds
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 compound...
| Main Author: | |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2018-09-01
|
| Series: | Metals |
| Subjects: | |
| Online Access: | http://www.mdpi.com/2075-4701/8/9/705 |