title: Symmetry-resolved surface-derived electronic structure of MoS2(0 0 0 1).
abstract: We find a wave vector dependence of the band symmetries for MoS(2)(0 0 0 1) in angle-resolved photoemission. The band structures are found to be significantly different for states of even and odd reflection parities, despite the absence of true mirror plane symmetry away from Γ, the Brillouin zone center, along the line to the K point, at the Brillouin zone edge. Our measurements agree with density functional theory (DFT) calculations for each band symmetry, with the notable exception of the Mo 4d(x(2)-y(2)) contributions to the valence band structure of MoS(2)(0 0 0 1). The band structure is indicative of strong S 3p and Mo 4d hybridization. In particular, the top of the valence band is predominantly composed of Mo 4d(3z(2)-r(2)) derived states near Γ, whereas near K Mo 4d(x(2)-y(2)) as well as Mo 4d(xy) dominate. In contrast, the bottom of the valence band is dominated by Mo 5s and S 3p(z) contributions.
authors.affiliation: Department of Physics and Astronomy, Theodore Jorgensen Hall, 855 N 16th, University of Nebraska, Lincoln, NE 68588-0299, USA.
authors.forename: Takashi
authors.initials: T
authors.lastname: Komesu
authors.forename: Duy
authors.initials: D
authors.lastname: Le
authors.forename: Quan
authors.initials: Q
authors.lastname: Ma
authors.forename: Eike F
authors.initials: EF
authors.lastname: Schwier
authors.forename: Yohei
authors.initials: Y
authors.lastname: Kojima
authors.forename: Mingtian
authors.initials: M
authors.lastname: Zheng
authors.forename: Hideaki
authors.initials: H
authors.lastname: Iwasawa
authors.forename: Kenya
authors.initials: K
authors.lastname: Shimada
authors.forename: Masaki
authors.initials: M
authors.lastname: Taniguchi
authors.forename: Ludwig
authors.initials: L
authors.lastname: Bartels
authors.forename: Talat S
authors.initials: TS
authors.lastname: Rahman
authors.forename: P A
authors.initials: PA
authors.lastname: Dowben