2013
DOI: 10.1103/physrevb.87.075451
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Electronic properties of the MoS2-WS2heterojunction

Abstract: We study the electronic structure of a heterojunction made of two monolayers of MoS 2 and WS 2 . Our first-principles density functional calculations show that, unlike in the homogeneous bilayers, the heterojunction has an optically active band gap, smaller than the ones of MoS 2 and WS 2 single layers. We find that the optically active states of the maximum valence and minimum conduction bands are localized on opposite monolayers, and thus the lowest energy electron-holes pairs are spatially separated. Our fi… Show more

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Cited by 462 publications
(368 citation statements)
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“…Due to the type-II band alignment of the MoSe 2 -WSe 2 HS [18][19][20] , as shown in Fig. 2c, photoexcited electrons and holes will relax (dashed lines) to the conduction band edge of MoSe 2 and the valence band edge of WSe 2 , respectively.…”
Section: Mosementioning
confidence: 99%
See 1 more Smart Citation
“…Due to the type-II band alignment of the MoSe 2 -WSe 2 HS [18][19][20] , as shown in Fig. 2c, photoexcited electrons and holes will relax (dashed lines) to the conduction band edge of MoSe 2 and the valence band edge of WSe 2 , respectively.…”
Section: Mosementioning
confidence: 99%
“…Therefore, an intriguing possibility is to stack different TMD monolayers on top of one another to form 2D HSs . Firstprinciple calculations show that heterojunctions formed between monolayer tungsten and molybdenum dichalcogenides have type-II band alignment [18][19][20] . Recently, this has been confirmed by X-ray photoelectron spectroscopy and scanning tunnelling spectroscopy 21 .…”
mentioning
confidence: 99%
“…These compounds can be synthesized through various methods, such as mechanical exfoliation 6 , chemical vapor deposition 7 , and intercalation techniques 8 . In addition, they have quite similar lattice constants which also enable the synthesis of MoS 2 -WS 2 heterostructures with minimum interfacial defects [9][10][11][12][13] .…”
Section: Introductionmentioning
confidence: 99%
“…Contrary to known exciton systems, here the exciton lifetime is long at the energy minimum while optical injection and probe are allowed at finite velocities, suggesting unique opportunities to study exciton dynamics and condensation phenomena. For lattice matching heterobilayers of AA-like (0 • twist) or AB-like (60 • twist) stacking, all light cones merge into a single one, and the quantum interference leads to dependence of the brightness and the polarization selection rules on the translation between the layers.The optically active interlayer excitons are the ones with electrons (holes) from the ±K (±K) valleys in MoX 2 (WX 2 ), where layer-hybridization is substantially quenched by the large band offsets between the layers [3,[30][31][32][33][34][35]. The term light cones here refer to the exciton phase space regions where interconversion with photon is directly allowed (without phonon or impurity assistance).…”
mentioning
confidence: 99%