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Giant piezoelectricity driven by Thouless pump in conjugated polymers

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摘要 Piezoelectricity of organic polymers has attracted increasing interest because of several advantages they exhibit over traditional inorganic ceramics.While most organic piezoelectrics rely on the presence of intrinsic local dipoles,a highly nonlocal electronic polarisation can be foreseen in conjugated polymers,characterised by delocalised and highly responsiveπ-electrons.These 1D systems represent a physical realisation of a Thouless pump,a mechanism of adiabatic charge transport of a topological nature which results,as shown in this work,in anomalously large dynamical effective charges,inversely proportional to the bandgap energy.
出处 《npj Computational Materials》 CSCD 2024年第1期2404-2412,共9页 计算材料学(英文)
基金 The authors acknowledge financial support from the European Union under ERC-SYN MORE-TEM,No.951215 from the Italian MIUR through the PRIN-2017 project,Grant No.2017Z8TS5B CINECA awards under ISCRA initiative Grant No.HP10CCJFWR and HP10C7XPLJ for the availability of high-performance computing resources and support.
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