Electronic structure, spin-orbit coupling, and interlayer interaction in bulk MoS2 and WS2

Latzke, Drew W.; Zhang, Wentao; Suslu, Aslihan; Chang, Tay-Rong; Lin, Hsin; Jeng, Horng-Tay; Tongay, Sefaattin; Wu, Junqiao; Bansil, Arun; Lanzara, Alessandra

doi:10.1103/PhysRevB.91.235202

Electronic structure, spin-orbit coupling, and interlayer interaction in bulk ${MoS}_{2}$ and ${WS}_{2}$

Journal Article · Thu Jun 11 04:00:00 EDT 2015 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.91.235202· OSTI ID:1371089

Latzke, Drew W. ^[1]; Zhang, Wentao ^[2]; Suslu, Aslihan ^[3]; Chang, Tay-Rong ^[4]; Lin, Hsin ^[5]; Jeng, Horng-Tay ^[6]; Tongay, Sefaattin ^[3]; Wu, Junqiao ^[2]; Bansil, Arun ^[7]; Lanzara, Alessandra ^[2]

Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)
Arizona State Univ., Tempe, AZ (United States)
National Tsing Hua Univ., Hsinchu (Taiwan)
National Univ. of Singapore (Singapore)
National Tsing Hua Univ., Hsinchu (Taiwan); Academia Sinica, Taipei (Taiwan)
Northeastern Univ., Boston, MA (United States)

Here, we present in-depth measurements of the electronic band structure of the transition-metal dichalcogenides (TMDs) MoS₂ and WS₂ using angle-resolved photoemission spectroscopy, with focus on the energy splittings in their valence bands at the K point of the Brillouin zone. Experimental results are interpreted in terms of our parallel first-principles computations. We find that interlayer interaction only weakly contributes to the splitting in bulk WS₂, resolving previous debates on its relative strength. We additionally find that across a range of TMDs, the band gap generally decreases with increasing magnitude of the valence-band splitting, molecular mass, or ratio of the out-of-plane to in-plane lattice constant. Our findings offer an important reference for future studies of electronic properties of MoS₂ and WS₂ and their applications in spintronics and valleytronics devices.

View Accepted Manuscript (DOE)

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for the Computational Design of Functional Layered Materials (CCDM)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division

Grant/Contract Number:: SC0012575; AC02-05CH11231; FG02-07ER46352

OSTI ID:: 1371089

Alternate ID(s):: OSTI ID: 1184434

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 23 Vol. 91; ISSN 1098-0121; ISSN PRBMDO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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