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Quantum Theory of Materials seminar, PGI-1/IAS-1

Prof. Ikutaro Hamada

Image potential state from van der Waals density functional

begin
24 Oct 2018 11:30
venue
PGI Lecture Hall

Osaka University, Japan

Abstract:

The van der Waals density functional by Langreth and Lundqvist is a density functional, which can describe both covalent and van der Waals bondings in a seamless fashion, and thanks to the recent developments, it has become accurate in describing a wide range of materials, including surfaces and interfaces. In this talk, after a brief introduction to the van der Waals density functional and its variant, I show that the image potential state, which is known to be inaccurately described with the semilocal approximation, can be described well with the van der Waals density functional. I also discuss the peculiar hybrid image potential states formed at an organic/graphene interface, which can explain the observed scanning tunneling microscopy image.

Contact

Dr. Nicolae Atodiresei
Phone: +49 2461 61-4745
Fax: +49 2461 61-2850
email: n.atodiresei@fz-juelich.de

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