Angle-resolved photoemission spectroscopy in low-dimensional periodic structures: A real-time first-principles simulation

Kazuki Uchida, Yuki Akimoto, Kazuki Einaga, Kazuyuki Watanabe

Research output: Contribution to journalArticle

Abstract

We propose a new theoretical approach to simulate angle-resolved photoemission spectroscopy (ARPES) of low-dimensional periodic structures. ARPES spectra can be efficiently and accurately calculated by real-time time-dependent density functional theory. We demonstrate that the calculated ARPES spectra coincide well with the occupied band structures of the target materials graphene, silicene, and polyacetylene. The electron doping effect on ARPES is clarified by calculating the spectrum of Li-intercalated bilayer graphene.

Original languageEnglish
Article number128001
JournalJapanese Journal of Applied Physics
Volume58
Issue number12
DOIs
Publication statusPublished - 1 Jan 2019

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