Journal Article

PUBDB-2016-03110

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Modifying the Interlayer Interaction in Layered Materials with an Intense IR Laser

Miyamoto, Y. ; Zhang, H. (Corresponding author) ; Miyazaki, T. ; Rubio, A.CFEL*MPG*

2015
APS College Park, Md.

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Please use a persistent id in citations: doi:10.1103/PhysRevLett.114.116102

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.

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Contributing Institute(s):

1. Forschungsgruppe für strukturelle Dynamik (MPSD)

Research Program(s):

1. 899 - ohne Topic (POF3-899) (POF3-899)
2. DYNAMO - Dynamical processes in open quantum systems: pushing the frontiers of theoretical spectroscopy (267374) (267374)
3. CRONOS - Time dynamics and ContROl in naNOStructures for magnetic recording and energy applications (280879) (280879)

Experiment(s):

1. No specific instrument

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Database coverage:
; ; ; Current Contents - Physical, Chemical and Earth Sciences ; IF >= 5 ; JCR ; NCBI Molecular Biology Database ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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