Band-gap expansion in the surface-localized electronic structure of MoS2(0002)

Sang Wook Han, Gi-Beom Cha, Emmanouil Frantzeskakis, Ivy Razado-Colambo, José Avila, Young S. Park, Daehyun Kim, Jihoon Hwang, Jeong Soo Kang, Sunmin Ryu, Won Seok Yun, Soon Cheol Hong, and Maria C. Asensio
Phys. Rev. B 86, 115105 – Published 6 September 2012


The electronic band structure of MoS2 single crystals has been investigated using angle-resolved photoelectron spectroscopy and first-principles calculations. The orbital symmetry and k dispersion of these electronic states responsible for the direct and the indirect electronic band gaps have been unambiguously determined. By experimentally probing an increase of the electronic band gap, we conclude that a MoS2 (0002) surface localized state exists just below the valence band maximum at the Γ point. This electronic state originates from the sulfur planes within the topmost layer. Our comprehensive study addresses the surface electronic structure of MoS2 and the role of van der Waals interlayer interactions.

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  • Received 5 January 2012


©2012 American Physical Society

Authors & Affiliations

Sang Wook Han1, Gi-Beom Cha2,*, Emmanouil Frantzeskakis3, Ivy Razado-Colambo3, José Avila3, Young S. Park4, Daehyun Kim5, Jihoon Hwang5, Jeong Soo Kang5, Sunmin Ryu6, Won Seok Yun1,†, Soon Cheol Hong1,‡, and Maria C. Asensio3,§

  • 1Department of Physics and Energy Harvest-Storage Research Center, University of Ulsan, Ulsan 680-749, Korea
  • 2Dongnae School, San 7-1, Bugok-dong, Geumjeon-gu, Busan 609-719, Korea
  • 3Synchrotron SOLEIL, L'Orme des Merisiers, Saint Aubin-BP 48, 91192 Gif sur Yvette Cedex, France
  • 4Center for Superfunctional Materials, Department of Chemistry, Pohang University of Science and Technology, Pohang 790-784, Korea
  • 5Department of Physics, The Catholic University of Korea, Bucheon 420-743, Korea
  • 6Department of Applied Chemistry, Kyung Hee University, Yongin, Gyeonggi 446-701, Korea

  • *Present address: Dongnae Girls' School, San 7-1, Bugok-dong, Geumjeon-gu, Busan 609-719, Korea.
  • Present address: Graduate Institute of Ferrous Technology, Pohang University of Science and Technology, Pohang 790-784, Korea.
  • §

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Vol. 86, Iss. 11 — 15 September 2012

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