Patterns and driving forces of dimensionality-dependent charge density waves in 2H-type transition metal dichalcogenides

Dongjing Lin, Shichao Li, Jinsheng Wen, Helmuth Berger, László Forró, Huibin Zhou, Shuang Jia, Takashi Taniguchi, Kenji Watanabe, Xiaoxiang Xi () and Mohammad Saeed Bahramy ()
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Dongjing Lin: Nanjing University
Shichao Li: Nanjing University
Jinsheng Wen: Nanjing University
Helmuth Berger: École Polytechnique Fédérale de Lausanne
László Forró: École Polytechnique Fédérale de Lausanne
Huibin Zhou: Peking University
Shuang Jia: Peking University
Takashi Taniguchi: National Institute for Materials Science
Kenji Watanabe: National Institute for Materials Science
Xiaoxiang Xi: Nanjing University
Mohammad Saeed Bahramy: The University of Tokyo

Nature Communications, 2020, vol. 11, issue 1, 1-9

Abstract: Abstract Charge density wave (CDW) is a startling quantum phenomenon, distorting a metallic lattice into an insulating state with a periodically modulated charge distribution. Astonishingly, such modulations appear in various patterns even within the same family of materials. Moreover, this phenomenon features a puzzling diversity in its dimensional evolution. Here, we propose a general framework, unifying distinct trends of CDW ordering in an isoelectronic group of materials, 2H-MX2 (M = Nb, Ta and X = S, Se). We show that while NbSe2 exhibits a strongly enhanced CDW order in two dimensions, TaSe2 and TaS2 behave oppositely, with CDW being absent in NbS2 entirely. Such a disparity is demonstrated to arise from a competition of ionic charge transfer, electron-phonon coupling, and electron correlation. Despite its simplicity, our approach can, in principle, explain dimensional dependence of CDW in any material, thereby shedding new light on this intriguing quantum phenomenon and its underlying mechanisms.

Date: 2020
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DOI: 10.1038/s41467-020-15715-w

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