Evolution of interlayer coupling in twisted molybdenum disulfide bilayers

Liu, Kaihui; Zhang, Liming; Cao, Ting; Jin, Chenhao; Qiu, Diana; Zhou, Qin; Zettl, Alex; Yang, Peidong; Louie, Steve G.; Wang, Feng

doi:10.1038/ncomms5966

Evolution of interlayer coupling in twisted molybdenum disulfide bilayers

Journal Article · Thu Sep 18 00:00:00 EDT 2014 · Nature Communications

DOI:https://doi.org/10.1038/ncomms5966· OSTI ID:1494115

Liu, Kaihui ^[1]; Zhang, Liming ^[2]; Cao, Ting ^[3]; Jin, Chenhao ^[2]; Qiu, Diana ^[3]; Zhou, Qin ^[4]; Zettl, Alex ^[3]; Yang, Peidong ^[3]; Louie, Steve G. ^[3]; Wang, Feng ^[3]

Univ. of California, Berkeley, CA (United States); Peking Univ., Beijing (China)
Univ. of California, Berkeley, CA (United States)
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)

Van der Waals (vdW) coupling is emerging as a powerful method to engineer and tailor physical properties of atomically thin two-dimensional (2D) materials. In graphene/graphene and graphene/boron-nitride structures it leads to interesting physical phenomena ranging from new van Hove singularities and Fermi velocity renormalization to unconventional quantum Hall effects and Hofstadter's butterfly pattern. 2D transition metal dichalcogenides (TMDCs), another system of predominantly vdW-coupled atomically thin layers can also exhibit interesting but different coupling phenomena because TMDCs can be direct or indirect bandgap semiconductors. Here, we present the first study on the evolution of interlayer coupling with twist angles in as-grown MoS₂ bilayers. We find that an indirect bandgap emerges in bilayers with any stacking configuration, but the bandgap size varies appreciably with the twist angle: it shows the largest redshift for AA- and AB-stacked bilayers, and a significantly smaller but constant redshift for all other twist angles. The vibration frequency of the out-of-plane phonon in MoS₂ shows similar twist angle dependence. Furthermore, our observations, together with ab initio calculations, reveal that this evolution of interlayer coupling originates from the repulsive steric effects, which leads to different interlayer separations between the two MoS₂ layers in different stacking configurations.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

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

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1494115

Journal Information:: Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 5; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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