Navigation and service

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

Prof. Ikutaro Hamada

Image potential state from van der Waals density functional

24 Oct 2018 11:30
PGI Lecture Hall

Osaka University, Japan


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.


Dr. Nicolae Atodiresei
Phone: +49 2461 61-4745
Fax: +49 2461 61-2850