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A large modulation of electron-phonon coupling and an emergent superconducting dome in doped strong ferroelectrics

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arxiv 2104.09904 v1 pith:XJEPYBCF submitted 2021-04-20 cond-mat.mtrl-sci cond-mat.supr-con

classification cond-mat.mtrl-scicond-mat.supr-con
keywords dopedcouplingstrongbatioferroelectricselectron-phononmetalscoupled
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abstract

We use first-principles methods to study doped strong ferroelectrics (taking BaTiO$_3$ as a prototype). Here we find a strong coupling between itinerant electrons and soft polar phonons in doped BaTiO$_3$, contrary to Anderson/Blount's weakly coupled electron mechanism for "ferroelectric-like metals". As a consequence, across a polar-to-centrosymmetric phase transition in doped BaTiO$_3$, the total electron-phonon coupling is increased to about 0.6 around the critical concentration, which is sufficient to induce phonon-mediated superconductivity of about 2 K. Lowering the crystal symmetry of doped BaTiO$_3$ by imposing epitaxial strain can further increase the superconducting temperature via a sizable coupling between itinerant electrons and acoustic phonons. Our work demonstrates a viable approach to modulating electron-phonon coupling and inducing phonon-mediated superconductivity in doped strong ferroelectrics and potentially in polar metals. Our results also show that the weakly coupled electron mechanism for "ferroelectric-like metals" is not necessarily present in doped strong ferroelectrics.

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  1. Understanding the origin of superconducting dome in electron-doped MoS$_2$ monolayer

    cond-mat.supr-con 2024-12 conditional novelty 6.0 of 10

    The superconducting dome in electron-doped MoS2 is recreated from first principles and traced to the 1x1 H to 2x2 charge-density-wave transition and later structural phases.

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