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Screening phonon-mediated superconductors from static orbital Hamiltonians

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Screening phonon-mediated superconductors from static orbital Hamiltonians 论文配图

Jian-Feng Zhang, Ze-Feng Gao, Xiao-Qi Han, Dingshun Lv, Miao Gao, Kai Liu, Xinguo Ren, Zhong-Yi Lu, Tao Xiang

Arxiv, 2026

摘要

In this work, we develop a low-cost, physically transparent framework that identifies strong electron-phonon coupling materials directly from static orbital-based Hamiltonians without explicit phonon perturbation calculations. Applied to more than 36,000 compounds in the MattKeyBond database, it identifies 34 dynamically stable superconducting candidates with calculated Tc > 10 K after DFPT verification.