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American Physical Society, Physical Review Letters, 11(114)

DOI: 10.1103/physrevlett.114.116102

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Modifying the Interlayer Interaction in Layered Materials with an Intense IR Laser

Journal article published in 2015 by Yoshiyuki Miyamoto ORCID, Hong Zhang, Takehide Miyazaki, Angel Rubio
This paper is available in a repository.
This paper is available in a repository.

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Abstract

We propose a transient interlayer compression in two-dimensional compound materials by using anintense IR laser resonant with the out-of-plane optical phonon mode (A$_{2u}$ mode). As a test case, we studied bilayer hexagonal boron nitride ($h$-BN), which is one of the compound layered materials. Excited state molecular dynamics calculations using time-dependent density functional theory show an 11.3% transient interlayer contraction of $h$-BN due to an interlayer dipole-dipole attraction of the laser-pumped A$_{2u}$ mode.These results are applicable to other layered compound materials. Such layered materials are a good material for nanospace chemistry, e.g., intercalating molecules and acting with them, and IR irradiation to contract the interlayer distance could provide a new route for chemical reactions under pressure. The duration of the contraction is at least 1 ps in the current simulation, which is observable by high-speedelectron-beam diffraction measurements.