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错配层化合物中掺杂可调电荷密度波

Doping tunable charge density waves in misfit layer compounds

Hugo Le Du, Ludovica Zullo, Justine Cordiez, Robin Salvatore, Daniel Schmieg, Arindam Mukherjee, Giovanni Marini, Dominik Volavka, Francois Debontridder, Marie Herve, Tomas Samuely, Shunsuke Sasaki, Florent Pawula, Etienne Janod, Matteo Calandra, Laurent Cario, Tristan Cren

arXiv 2607.19095首次发表:更新:

AI 中文总结

研究利用错配层化合物异质结构平台,结合计算与显微镜技术,通过化学合金化实现对NbSe2电荷密度波的掺杂可调控制,能稳定不同CDW有序及共存相,为设计定制CDW的过渡金属二卤化物奠定基础。

AI 中文摘要

通过外部控制旋钮(如掺杂、压力或应变)调节电荷密度波(CDW)的能力对于探索二维(2D)或准2D材料的相图至关重要。然而,控制CDW临界温度和有序矢量对当前实验技术仍是挑战。本文建立错配层化合物异质结构作为操控过渡金属二卤化物中CDW的可靠平台。结合从头算计算和低温扫描隧道显微镜,展示通过在岩盐亚基中化学合金化实现对NbSe2 CDW的掺杂可调控制。关键是,证明调节错配家族(LaxPb1 - xSe)1.14(NbSe2)2中的La/Pb比可稳定不同CDW有序,如2x2或3x3模式,甚至共存相。此工作为在错配异质结构中设计具有定制电荷密度波的过渡金属二卤化物铺平道路。

英文摘要

The ability to tune charge density waves (CDWs) through external control knobs, such as doping, pressure or strain is crucial for exploring the phase diagram of two dimensional (2D) or quasi-2D materials. Yet, controlling CDWs critical temperature and ordering vector remains a challenge for current experimental techniques. In this work, we establish misfit layer compound heterostructures as a reliable platform to manipulate CDWs in transition metal dichalcogenides. By combining ab initio calculations with low-temperature scanning tunneling microscopy, we show how to achieve doping tunable control over NbSe2 CDW by chemically alloying in the rocksalt subunit. Crucially, we prove that tuning the La Pb ratio in the misfit family (LaxPb1xSe)1.14(NbSe2)2 enables stabilization of different CDW orders, such as 2x2 or 3x3 patterns, and even coexisting phases. This work paves the way for engineering transition metal dichalcogenides with tailored charge density waves within misfit heterostructures.

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