| dc.creator |
Zhang, Yang |
|
| dc.creator |
Yuan, Noah F. Q. |
|
| dc.creator |
Fu, Liang |
|
| dc.date |
2022-05-09T20:15:26Z |
|
| dc.date |
2022-04-12T12:26:24Z |
|
| dc.date |
2022-05-09T20:15:26Z |
|
| dc.date |
2020-11 |
|
| dc.date |
2020-11 |
|
| dc.date |
2022-04-12T12:23:17Z |
|
| dc.date.accessioned |
2022-05-18T20:32:27Z |
|
| dc.date.available |
2022-05-18T20:32:27Z |
|
| dc.identifier |
2469-9950 |
|
| dc.identifier |
2469-9969 |
|
| dc.identifier |
https://hdl.handle.net/1721.1/141841.2 |
|
| dc.identifier |
Zhang, Yang, Yuan, Noah FQ and Fu, Liang. 2020. "Moiré quantum chemistry: Charge transfer in transition metal dichalcogenide superlattices." Physical Review B, 102 (20). |
|
| dc.identifier.uri |
http://localhost:8080/xmlui/handle/CUHPOERS/42326 |
|
| dc.description |
© 2020 American Physical Society. Transition metal dichalcogenide (TMD) bilayers have recently emerged as a robust and tunable moiré system for studying and designing correlated electron physics. In this Rapid Communication, by combining a large-scale first-principles calculation and continuum model approach, we provide an electronic structure theory that maps long-period TMD heterobilayer superlattices onto diatomic crystals with cations and anions. We find that the interplay between the moiré potential and Coulomb interaction leads to filling-dependent charge transfer between different moiré superlattice regions. We show that the insulating state at half filling found in recent experiments on WSe2/WS2 is a charge-transfer insulator rather than a Mott-Hubbard insulator. Our work reveals the richness of simplicity in moiré quantum chemistry. |
|
| dc.format |
application/octet-stream |
|
| dc.language |
en |
|
| dc.publisher |
American Physical Society (APS) |
|
| dc.relation |
http://dx.doi.org/10.1103/physrevb.102.201115 |
|
| dc.relation |
Physical Review B |
|
| dc.rights |
Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. |
|
| dc.source |
APS |
|
| dc.title |
Moiré quantum chemistry: Charge transfer in transition metal dichalcogenide superlattices |
|
| dc.type |
Article |
|
| dc.type |
http://purl.org/eprint/type/JournalArticle |
|