Calphad Modeling of LRO and SRO Using <i>ab initio</i> Data
Results from DFT calculations are in many cases equivalent to experimental data. They describe a set of properties of a phase at a well-defined composition and temperature, <i>T</i>, most often at 0 K. In order to be practically useful in materials design, such data must be fitted to a t...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2020-07-01
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| Series: | Metals |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2075-4701/10/8/998 |