Microscopic origin of the π states in epitaxial silicene

Journal Article · Mon Jan 13 00:00:00 EST 2014 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4862261· OSTI ID:22275719

Lee, C. -C.; Yamada-Takamura, Y. ^[1]; Yoshida, Y.; Hasegawa, Y. ^[2]; Ozaki, T. ^[1]

---

1. School of Materials Science, Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Ishikawa 923-1292 (Japan)
2. The Institute for Solid State Physics, The University of Tokyo, Kashiwanoha 5-1-5, Kashiwa, Chiba 277-8581 (Japan)

We investigated the electronic properties of epitaxial silicene on ZrB{sub 2}(0001) thin film grown on Si(111) by means of low-temperature scanning tunneling spectroscopy and density functional theory calculations. The position of silicon atoms and thus, the localization of the valence and conduction states were deducted from the comparison of the spectra and the computed local density of states. We point out the strong contribution of p{sub z} orbitals of specific atoms to those states which indicates the π character of the conduction and valence bands. A clear correlation between hybridization of the orbitals of the Si atoms and the buckling was evidenced.

• OSTI ID: 22275719
• Journal Information: Applied Physics Letters, Vol. 104, Issue 2; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
DENSITY FUNCTIONAL METHOD
EPITAXY
SPECTROSCOPY
THIN FILMS
TUNNEL EFFECT
ZIRCONIUM BORIDES