https://arxiv.org/abs/2309.16218

Pressure-induced one-dimensional oxygen ion diffusion channel in lead-apatiteRecently, Lee et al. claimed that the experimental observation of room-temperature ambient-pressure superconductivity in a Cu-doped lead-apatite (Pb10-xCux(PO4)6O). The study revealed the Cu doping induces a chemical pressure, resulting in a structural contraction of one-dimensional Cu-O-Cu atomic column. This unique structure promotes a one-dimensional electronic conduction channel along the c-axis mediated by the O atoms, which may be related to superconductivity. These O atoms occupy 1/4 of the equivalent positions along the c-axis and exhibit a low diffusion activation energy of 0.8 eV, indicating the possibility of diffusion between these equivalent positions. Here, using machine-learning based deep potential, we predict the pressure-induced fast diffusion of 1/4-occupied O atoms along the one-dimensional channel in Pb10(PO4)6O at 500 K, while the frameworks of Pb triangles and PO4 tetrahedrons remain stable. The calculation results also indicate Cu doping can provide appropriate effective chemical pressure, indicating the one-dimensional ion diffusion channel may appear in Pb9Cu(PO4)6O, even at ambient pressure. Our finding shows that the one-dimensional ions diffusion channel may be an important factor to affects the fabrication and electrical measurement of doped lead-apatite.arxiv.org

시뮬계산으로 Lk99의 구조가 버틸거로 예상되는 온도가 1200k쯤으로 되있던데

퀀텀이 제시한 레시피에서 합성온도가 925도 였잖음?

이두개를 같이 생각해보니 lk99가 더 잘 만들어질려면 1200k이상으로 가열해야 할까라는 생각이 드는듯

물론 저온도로도 가능할수도 있고 퀀텀도 20년동안 구운 기록이 있을테니 저온도로 제안한걸수도 있긴한데

시뮬결과랑 합성시 필요온도랑 절묘하게 엇비슷한 온도로 겹치는게 신기한듯?