Alkali-metal induced band structure deformation investigated by angle-resolved photoemission spectroscopy and first-principles calculations

S. Ito, B. Feng, M. Arita, T. Someya, W. C. Chen, Akari Takayama, T. Iimori, H. Namatame, M. Taniguchi, C. M. Cheng, S. J. Tang, F. Komori, I. Matsuda

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Alkali-metal adsorption on the surface of materials is widely used for in situ surface electron doping, particularly for observing unoccupied band structures by angle-resolved photoemission spectroscopy (ARPES). However, the effects of alkali-metal atoms on the resulting band structures have yet to be fully investigated, owing to difficulties in both experiments and calculations. Here, we combine ARPES measurements on cesium-adsorbed ultrathin bismuth films with first-principles calculations of the electronic charge densities and demonstrate a simple method to evaluate alkali-metal induced band deformation. We reveal that deformation of bismuth surface bands is directly correlated with vertical charge-density profiles at each electronic state of bismuth. In contrast, a change in the quantized bulk bands is well described by a conventional rigid-band-shift picture. We discuss these two aspects of the band deformation holistically, considering spatial distributions of the electronic states and cesium-bismuth hybridization, and provide a prescription for applying alkali-metal adsorption to a wide range of materials.

Original languageEnglish
Article number155423
JournalPhysical Review B
Volume97
Issue number15
DOIs
Publication statusPublished - 2018 Apr 20
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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