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"Together, these calculations suggest it is doubtful that Cu enters the structure in meaningful concentrations, despite initial attempts to model LK-99 in this
by carabiner 3y ago
"Together, these calculations suggest it is doubtful that Cu enters the structure in meaningful concentrations, despite initial attempts to model LK-99 in this way."
So does this mean all those DFT calculations were useless?
- denhaus 3y agoIt may mean the structure of LK-99 found by Kim et al is highly metastable. It does not mean the DFT calculations were useless. Also, for clarity, the original DFT calculations by Griffin do not purport to have “verified” superconductivity, but rather just report to have found a band structure (electronic energy levels) which are encouraging.
- delabay 3y agoThe DFT calculations were performed on a phase which is not possible to form via the recipe provided by the Korean team, as demonstrated by this latest preprint. Which raises doubt on what the Korean team actually tested or whether they are withholding alternative recipes.
- XorNot 3y agoThere's a difference between "can you actually form this structure" and "if you could form this structure, what would it's properties be?"
- physicsguy 3y agoThink of it in terms of an energy barrier, like someone cycling over Everest. It might be theoretically possible that there's a nice happy superconducting state if you can get things in the right place, but if you've got to cycle over the top of Everest, it might be pretty much impossible to get there.