Predictions of moiré excitons in twisted two-dimensional organic-inorganic halide perovskites
Recent breakthrough in synthesizing arbitrary vertical heterostructures of Ruddlesden-Popper (RP) perovskites opens doors to myriad quantum optoelectronic applications. However, it is not clear whether moiré excitons and flat bands can be formed in such heterostructures. Here, we predict from first...
Gespeichert in:
| Veröffentlicht in: | Chemical science (Cambridge) 2021-03, Vol.12 (17), p.673-68 |
|---|---|
| Hauptverfasser: | , , |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | 68 |
|---|---|
| container_issue | 17 |
| container_start_page | 673 |
| container_title | Chemical science (Cambridge) |
| container_volume | 12 |
| creator | Zhang, Linghai Zhang, Xu Lu, Gang |
| description | Recent breakthrough in synthesizing arbitrary vertical heterostructures of Ruddlesden-Popper (RP) perovskites opens doors to myriad quantum optoelectronic applications. However, it is not clear whether moiré excitons and flat bands can be formed in such heterostructures. Here, we predict from first principles that twisted homobilayers of RP perovskite, MA
2
PbI
4
, can host moiré excitons and yield flat energy bands. The moiré excitons exhibit unique and hybridized characteristics with electrons confined in a single layer of a striped distribution while holes localized in both layers. Nearly flat valence bands can be formed in the bilayers with relatively large twist angles, thanks to the presence of hydrogen bonds that strengthen the interlayer coupling. External pressures can further increase the interlayer coupling, yielding more localized moiré excitons and flatter valence bands. Finally, electrostatic gating is predicted to tune the degree of hybridization, energy, position and localization of moiré excitons in twisted MA
2
PbI
4
bilayers.
Excitonic states in twisted MA
2
PbI
4
bilayers were calculated by first-principles calculations. |
| doi_str_mv | 10.1039/d1sc00359c |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_pubme</sourceid><recordid>TN_cdi_pubmed_primary_33996003</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2522054829</sourcerecordid><originalsourceid>FETCH-LOGICAL-c428t-57acc0e888b8769e3b6cef48200d42373d811d1740d363a7f2104b7011af2a293</originalsourceid><addsrcrecordid>eNpdkclKBDEQhoMoKjoX70qDFxFas_SSXAQZVxAU1Kshk1RrtLszJj0uj-Rz-GJmFscll6qkPv76yY_QBsF7BDOxb0jQGLNc6AW0SnFG0iJnYnHeU7yCeiE84ngYIzktl9EKY0IU8b6K7q48GKs769qQuCppnPWfHwm8aduNn2ybdK82dGBidamxDbQhwqpOnL9XrdWpbWdd8qBqayAZgncv4cl2ENbRUqXqAL1ZXUO3J8c3_bP04vL0vH94keqM8i7NS6U1Bs75gJeFADYoNFQZpxibjLKSGU6IIWWGDSuYKitKcDYoMSGqoooKtoYOprrD0aABo6HtvKrl0NtG-XfplJV_J619kPfuRXIseMHLKLAzE_DueQShk40NGupateBGQdKc8oxRwce7tv-hj27k449MKIrz6HtM7U4p7V0IHqq5GYLlODl5RK77k-T6Ed76bX-OfucUgc0p4IOeT3-iZ1_VVZ8n</addsrcrecordid><sourcetype>Open Access Repository</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2522054829</pqid></control><display><type>article</type><title>Predictions of moiré excitons in twisted two-dimensional organic-inorganic halide perovskites</title><source>DOAJ Directory of Open Access Journals</source><source>PubMed Central Open Access</source><source>EZB-FREE-00999 freely available EZB journals</source><source>PubMed Central</source><creator>Zhang, Linghai ; Zhang, Xu ; Lu, Gang</creator><creatorcontrib>Zhang, Linghai ; Zhang, Xu ; Lu, Gang</creatorcontrib><description>Recent breakthrough in synthesizing arbitrary vertical heterostructures of Ruddlesden-Popper (RP) perovskites opens doors to myriad quantum optoelectronic applications. However, it is not clear whether moiré excitons and flat bands can be formed in such heterostructures. Here, we predict from first principles that twisted homobilayers of RP perovskite, MA
2
PbI
4
, can host moiré excitons and yield flat energy bands. The moiré excitons exhibit unique and hybridized characteristics with electrons confined in a single layer of a striped distribution while holes localized in both layers. Nearly flat valence bands can be formed in the bilayers with relatively large twist angles, thanks to the presence of hydrogen bonds that strengthen the interlayer coupling. External pressures can further increase the interlayer coupling, yielding more localized moiré excitons and flatter valence bands. Finally, electrostatic gating is predicted to tune the degree of hybridization, energy, position and localization of moiré excitons in twisted MA
2
PbI
4
bilayers.
Excitonic states in twisted MA
2
PbI
4
bilayers were calculated by first-principles calculations.</description><identifier>ISSN: 2041-6520</identifier><identifier>EISSN: 2041-6539</identifier><identifier>DOI: 10.1039/d1sc00359c</identifier><identifier>PMID: 33996003</identifier><language>eng</language><publisher>England: Royal Society of Chemistry</publisher><subject>Bonding strength ; Chemistry ; Coupling ; Energy bands ; Excitons ; External pressure ; First principles ; Heterostructures ; Hydrogen bonds ; Interlayers ; Monolayers ; Optoelectronics ; Perovskites ; Valence band</subject><ispartof>Chemical science (Cambridge), 2021-03, Vol.12 (17), p.673-68</ispartof><rights>This journal is © The Royal Society of Chemistry.</rights><rights>Copyright Royal Society of Chemistry 2021</rights><rights>This journal is © The Royal Society of Chemistry 2021 The Royal Society of Chemistry</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c428t-57acc0e888b8769e3b6cef48200d42373d811d1740d363a7f2104b7011af2a293</citedby><cites>FETCH-LOGICAL-c428t-57acc0e888b8769e3b6cef48200d42373d811d1740d363a7f2104b7011af2a293</cites><orcidid>0000-0003-0536-5765</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC8098687/pdf/$$EPDF$$P50$$Gpubmedcentral$$Hfree_for_read</linktopdf><linktohtml>$$Uhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC8098687/$$EHTML$$P50$$Gpubmedcentral$$Hfree_for_read</linktohtml><link.rule.ids>230,314,723,776,780,860,881,27903,27904,53770,53772</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/33996003$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Zhang, Linghai</creatorcontrib><creatorcontrib>Zhang, Xu</creatorcontrib><creatorcontrib>Lu, Gang</creatorcontrib><title>Predictions of moiré excitons in twisted two-dimensional organic-inorganic halide perovskites</title><title>Chemical science (Cambridge)</title><addtitle>Chem Sci</addtitle><description>Recent breakthrough in synthesizing arbitrary vertical heterostructures of Ruddlesden-Popper (RP) perovskites opens doors to myriad quantum optoelectronic applications. However, it is not clear whether moiré excitons and flat bands can be formed in such heterostructures. Here, we predict from first principles that twisted homobilayers of RP perovskite, MA
2
PbI
4
, can host moiré excitons and yield flat energy bands. The moiré excitons exhibit unique and hybridized characteristics with electrons confined in a single layer of a striped distribution while holes localized in both layers. Nearly flat valence bands can be formed in the bilayers with relatively large twist angles, thanks to the presence of hydrogen bonds that strengthen the interlayer coupling. External pressures can further increase the interlayer coupling, yielding more localized moiré excitons and flatter valence bands. Finally, electrostatic gating is predicted to tune the degree of hybridization, energy, position and localization of moiré excitons in twisted MA
2
PbI
4
bilayers.
Excitonic states in twisted MA
2
PbI
4
bilayers were calculated by first-principles calculations.</description><subject>Bonding strength</subject><subject>Chemistry</subject><subject>Coupling</subject><subject>Energy bands</subject><subject>Excitons</subject><subject>External pressure</subject><subject>First principles</subject><subject>Heterostructures</subject><subject>Hydrogen bonds</subject><subject>Interlayers</subject><subject>Monolayers</subject><subject>Optoelectronics</subject><subject>Perovskites</subject><subject>Valence band</subject><issn>2041-6520</issn><issn>2041-6539</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNpdkclKBDEQhoMoKjoX70qDFxFas_SSXAQZVxAU1Kshk1RrtLszJj0uj-Rz-GJmFscll6qkPv76yY_QBsF7BDOxb0jQGLNc6AW0SnFG0iJnYnHeU7yCeiE84ngYIzktl9EKY0IU8b6K7q48GKs769qQuCppnPWfHwm8aduNn2ybdK82dGBidamxDbQhwqpOnL9XrdWpbWdd8qBqayAZgncv4cl2ENbRUqXqAL1ZXUO3J8c3_bP04vL0vH94keqM8i7NS6U1Bs75gJeFADYoNFQZpxibjLKSGU6IIWWGDSuYKitKcDYoMSGqoooKtoYOprrD0aABo6HtvKrl0NtG-XfplJV_J619kPfuRXIseMHLKLAzE_DueQShk40NGupateBGQdKc8oxRwce7tv-hj27k449MKIrz6HtM7U4p7V0IHqq5GYLlODl5RK77k-T6Ed76bX-OfucUgc0p4IOeT3-iZ1_VVZ8n</recordid><startdate>20210323</startdate><enddate>20210323</enddate><creator>Zhang, Linghai</creator><creator>Zhang, Xu</creator><creator>Lu, Gang</creator><general>Royal Society of Chemistry</general><general>The Royal Society of Chemistry</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>7X8</scope><scope>5PM</scope><orcidid>https://orcid.org/0000-0003-0536-5765</orcidid></search><sort><creationdate>20210323</creationdate><title>Predictions of moiré excitons in twisted two-dimensional organic-inorganic halide perovskites</title><author>Zhang, Linghai ; Zhang, Xu ; Lu, Gang</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c428t-57acc0e888b8769e3b6cef48200d42373d811d1740d363a7f2104b7011af2a293</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Bonding strength</topic><topic>Chemistry</topic><topic>Coupling</topic><topic>Energy bands</topic><topic>Excitons</topic><topic>External pressure</topic><topic>First principles</topic><topic>Heterostructures</topic><topic>Hydrogen bonds</topic><topic>Interlayers</topic><topic>Monolayers</topic><topic>Optoelectronics</topic><topic>Perovskites</topic><topic>Valence band</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Zhang, Linghai</creatorcontrib><creatorcontrib>Zhang, Xu</creatorcontrib><creatorcontrib>Lu, Gang</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>MEDLINE - Academic</collection><collection>PubMed Central (Full Participant titles)</collection><jtitle>Chemical science (Cambridge)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Zhang, Linghai</au><au>Zhang, Xu</au><au>Lu, Gang</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Predictions of moiré excitons in twisted two-dimensional organic-inorganic halide perovskites</atitle><jtitle>Chemical science (Cambridge)</jtitle><addtitle>Chem Sci</addtitle><date>2021-03-23</date><risdate>2021</risdate><volume>12</volume><issue>17</issue><spage>673</spage><epage>68</epage><pages>673-68</pages><issn>2041-6520</issn><eissn>2041-6539</eissn><abstract>Recent breakthrough in synthesizing arbitrary vertical heterostructures of Ruddlesden-Popper (RP) perovskites opens doors to myriad quantum optoelectronic applications. However, it is not clear whether moiré excitons and flat bands can be formed in such heterostructures. Here, we predict from first principles that twisted homobilayers of RP perovskite, MA
2
PbI
4
, can host moiré excitons and yield flat energy bands. The moiré excitons exhibit unique and hybridized characteristics with electrons confined in a single layer of a striped distribution while holes localized in both layers. Nearly flat valence bands can be formed in the bilayers with relatively large twist angles, thanks to the presence of hydrogen bonds that strengthen the interlayer coupling. External pressures can further increase the interlayer coupling, yielding more localized moiré excitons and flatter valence bands. Finally, electrostatic gating is predicted to tune the degree of hybridization, energy, position and localization of moiré excitons in twisted MA
2
PbI
4
bilayers.
Excitonic states in twisted MA
2
PbI
4
bilayers were calculated by first-principles calculations.</abstract><cop>England</cop><pub>Royal Society of Chemistry</pub><pmid>33996003</pmid><doi>10.1039/d1sc00359c</doi><tpages>8</tpages><orcidid>https://orcid.org/0000-0003-0536-5765</orcidid><oa>free_for_read</oa></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 2041-6520 |
| ispartof | Chemical science (Cambridge), 2021-03, Vol.12 (17), p.673-68 |
| issn | 2041-6520 2041-6539 |
| language | eng |
| recordid | cdi_pubmed_primary_33996003 |
| source | DOAJ Directory of Open Access Journals; PubMed Central Open Access; EZB-FREE-00999 freely available EZB journals; PubMed Central |
| subjects | Bonding strength Chemistry Coupling Energy bands Excitons External pressure First principles Heterostructures Hydrogen bonds Interlayers Monolayers Optoelectronics Perovskites Valence band |
| title | Predictions of moiré excitons in twisted two-dimensional organic-inorganic halide perovskites |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-22T06%3A43%3A34IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_pubme&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Predictions%20of%20moir%C3%A9%20excitons%20in%20twisted%20two-dimensional%20organic-inorganic%20halide%20perovskites&rft.jtitle=Chemical%20science%20(Cambridge)&rft.au=Zhang,%20Linghai&rft.date=2021-03-23&rft.volume=12&rft.issue=17&rft.spage=673&rft.epage=68&rft.pages=673-68&rft.issn=2041-6520&rft.eissn=2041-6539&rft_id=info:doi/10.1039/d1sc00359c&rft_dat=%3Cproquest_pubme%3E2522054829%3C/proquest_pubme%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=2522054829&rft_id=info:pmid/33996003&rfr_iscdi=true |