Vibrational Effects in X-ray Absorption Spectra of 2D Layered Materials

Weine Olovsson, Teruyasu Mizoguchi, Martin Magnuson, Stefan Kontur, Olle Hellman, Isao Tanaka, Claudia Draxl

The Journal of Physical Chemistry C, February 2019, American Chemical Society (ACS)
DOI: 10.1021/acs.jpcc.9b00179

Vibrational Effects in X-ray Absorption Spectra of 2D Layered Materials

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What is it about?

Calculated X-ray absorption spectra (XAS) are discussed in connection to zero point motion.

Why is it important?

Vibration effects in 2D-stored nanostructured materials can affect the mechanical properties in unexpected ways. It is therefore of great interest to examine the properties of the vibration modes in these materials. One of the most common 2D materials is graphite which is a mineral consisting solely of the elementary carbon where the carbon atoms form crystals with flat hexagonally structured layers. A related 2D material is boron nitride which is a rare mineral that also consists of hexagonally structured layers of both carbon and nitrogen atom.

Perspectives

Associate Prof. Martin Magnuson

Department of Physics, Chemistry and Biology (IFM)

Graphite and hexagonal boron nitride are archetypal layer structures that share many functions with the related 2D graphene and BN monolayer materials. Generally, vibrations are important for light atoms in low-dimensional structures, where the electron-phonon coupling is improved and exhibits high vibrational frequencies. The researchers predict that vibrational effects are important in a large temperature range and encourage new temperature-dependent experiments on low-dimensional materials with other light elements.

Read Publication

http://dx.doi.org/10.1021/acs.jpcc.9b00179

The following have contributed to this page: Associate Prof. Martin Magnuson