Observation of charge density waves in free-standing 1T-TaSe2 monolayers by transmission electron microscopy


Observation of charge density waves in free-standing 1T-TaSe2 monolayers by transmission electron microscopy

Börner, P. C.; Kinyanjui, M. K.; Björkman, T.; Lehnert, T.; Krasheninnikov, A. V.; Kaiser, U.

Abstract

While bulk 1T-TaSe2 is characterized by a commensurate charge density wave (CCDW) state below 473K, the stability of the CCDW state in a 1T-TaSe2 monolayer, although theoretically predicted, has not been experimentally confirmed so far. As charge density waves and periodic lattice distortions (PLDs) always come together, we evaluate the PLD in a 1T-TaSe2 monolayer from low-voltage aberration-corrected high-resolution transmission electron microscopy experiments. To prevent fast degradation of 1T-TaSe2 during exposure to the electron-beam, a 1T-TaSe2/graphene heterostructure was prepared. We also perform the image simulations based on atom coordinates obtained using density functional theory calculations. From the agreement between the experimental and simulated images, we confirm the stability of the CCDW/PLD in a monolayer 1T-TaSe2/graphene heterostructure at room temperature in the form of a 13 13 superstructure. At the same time, we find that in comparison to multi-layer structures, the superstructure is less pronounced.

Keywords: 1T-TaSe2; graphene; TEM; first-principles calculations

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