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

Yoshiyuki Miyamoto, Hong Zhang, Takehide Miyazaki, and Angel Rubio
Phys. Rev. Lett. 114, 116102 – Published 19 March 2015
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Abstract

We propose a transient interlayer compression in two-dimensional compound materials by using an intense IR laser resonant with the out-of-plane optical phonon mode (A2u 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 A2u 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-speed electron-beam diffraction measurements.

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  • Received 12 January 2015

DOI:https://doi.org/10.1103/PhysRevLett.114.116102

© 2015 American Physical Society

Authors & Affiliations

Yoshiyuki Miyamoto1, Hong Zhang2,*, Takehide Miyazaki1, and Angel Rubio3,4

  • 1Nanosystem Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), Central 2, 1-1-1 Umezono, Tsukuba 305-8568, Japan
  • 2College of Physical Science and Technology, Sichuan University, Chengdu 610065, China
  • 3Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, 22761 Hamburg, Germany
  • 4Nano-Bio Spectroscopy group and European Theoretical Spectroscopy Facility (ETSF), Universidad del País Vasco CFM CSIC-UPV/EHU-MPC DIPC, 20018 San Sebastian, Spain

  • *hongzhang@scu.edu.cn

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Issue

Vol. 114, Iss. 11 — 20 March 2015

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