Electronic structure, spin-orbit coupling, and interlayer interaction in bulk and
- 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.
- 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; USDOE Office of Science (SC), Basic Energy Sciences (BES)
- 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, Vol. 91, Issue 23; Related Information: CCDM partners with Temple University (lead); Brookhaven National Laboratory; Drexel University; Duke University; North Carolina State University; Northeastern University; Princeton University; Rice University; University of Pennsylvania; ISSN 1098-0121
- Publisher:
- American Physical Society (APS)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
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