The Symmetry-Resolved Electronic Structure Of 2H-Wse2(0 0 0 1)

Keywords

angle resolved photoemission; band structure; DFT; spin-orbit coupling; transition metal dichalogenide

Abstract

The orbital symmetry of the band structure of 2H-WSe2(0 0 0 1) has been investigated by means of angle-resolved photoelectron spectroscopy (ARPES) and density functional theory (DFT). The WSe2(0 0 0 1) experimental band structure is found, by ARPES, to be significantly different for states of even and odd reflection parities along both Ω-K̄ and Ω-M the - and - lines, in good agreement with results obtained from DFT. The light polarization dependence of the photoemission intensities from the top of the valence band for bulk WSe2(0 0 0 1) is explained by the dominance of W 5dz2 states around the Ω-point and W 5dxy states around the Ω-point, thus dominated, respectively, by states of even and odd symmetry, with respect to the - line. The splitting of the topmost valence band at K̄, due to spin-orbit coupling, is measured to be 0.49 ± 0.01 eV, in agreement with the 0.48 eV value from DFT, and prior measurements for the bulk single crystal WSe2(0 0 0 1), albeit slightly smaller than the 0.513 ± 0.01 eV observed for monolayer WSe2.

Publication Date

6-30-2016

Publication Title

Journal of Physics Condensed Matter

Volume

28

Issue

34

Document Type

Article

Personal Identifier

scopus

DOI Link

https://doi.org/10.1088/0953-8984/28/34/345503

Socpus ID

84978916794 (Scopus)

Source API URL

https://api.elsevier.com/content/abstract/scopus_id/84978916794

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