| 研究開始時の研究の概要 |
This first-principles method can be used widely in superconductors. With the only input of crystal structures, we can predict many properties of it. Combined with structure prediction method and optimization method, efficient scheme to search for novel superconductors can be realized.
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| 研究実績の概要 |
In 2022, we have improved our theoretical methods of ab initio calculation of Tc. We combined our methods with structure prediction methods, and proposed a systematical routine to find optimal elements for lanthanum hydrides. We have successfully predicted that by doping calcium we can increase the transition temperature for lanthanum hydride to reach room-temperature with lower pressure.
In 2023, we have studied the effect of self-consistency in the calculation of electronic self-energy. We have found that the inclusion of self-consistency in self-energy is crucial in our Migdal-Eliashberg calculations. Moreover, using our methods, we have successfully reproduced the experimental Tc value of MgB2.
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