Timeline for Formation energy and Energy above convex hull as indicators of stability
Current License: CC BY-SA 4.0
6 events
| when toggle format | what | by | license | comment | |
|---|---|---|---|---|---|
| Dec 7, 2021 at 12:19 | comment | added | Niraja moharana | So convex hull is the line connecting the more negative energy phases at that specific composition. Suppose we have some compounds of A and B i.e., AB, A2B etc. Let say AB has different structure i.e., FCC and HCP. Then if the energy of HCP-AB is more negative than FCC-AB then HCP-AB will be on the convex hull at the composition of 0.5 A. FCC-AB will have a less negative energy at the same composition and it won't be a part of the convex hull. | |
| Aug 16, 2021 at 11:27 | comment | added | James Arten | Can I ask also what do you intend when you say Phases 'above' the convex hull? | |
| Jun 9, 2021 at 17:21 | comment | added | Niraja moharana | I intended to consider the formation energy of the compounds. For example : suppose A and B are two elements, then AB, A2B, A3B etc. are some of the compounds. | |
| Jun 7, 2021 at 13:08 | comment | added | James Arten | thank you very much, could you clarify what you intend by phases in this context? | |
| Jun 7, 2021 at 13:07 | vote | accept | James Arten | ||
| Feb 4, 2021 at 20:25 | history | answered | Niraja moharana | CC BY-SA 4.0 |