The symmetry-resolved electronic structure of 2H-WSe2(0 0 0 1). (30th June 2016)

• Record Type: Journal Article
• Authors: Tanabe, Iori; Komesu, Takashi; Le, Duy; Rawal, Takat B; Schwier, Eike F; Zheng, Mingtian; Kojima, Yohei; Iwasawa, Hideaki; Shimada, Kenya; Rahman, Talat S; Dowben, Peter A
• Is Part Of: Journal of physics. Volume 28:Number 34(2016)
• Publication Date: 2016-06-30
• Subjects: transition metal dichalogenide -- band structure -- spin–orbit coupling -- angle resolved photoemission -- DFT; Condensed matter -- Periodicals; Matière condensée -- Périodiques; Vaste stoffen; Vloeistoffen; Natuurkunde; Electronic journals; Computer network resources; 530.4105
• DOI: 10.1088/0953-8984/28/34/345503
• Languages: English
• ISSNs: 0953-8984

Abstract

Abstract: The orbital symmetry of the band structure of 2 H -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 the Γ ¯ – K ¯ and Γ ¯ – M ¯ 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 5 d z 2 states around the Γ ¯ -point and W 5 d xy states around the K ¯ -point, thus dominated, respectively, by states of even and odd symmetry, with respect to the Γ ¯ – K ¯ line. The splitting of the topmost valence band at K ¯, 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 .