{"corpus_id":191162401,"paper_sha":"58ccf2045a52788b307a4545f15eecf5d1a2cfdb","doi":"10.1016/J.PHYSE.2019.113582","arxiv_id":null,"pmid":null,"pmcid":null,"mag_id":2947086027,"dblp_id":null,"acl_id":null,"title":"An ab initio study of the ferroelectric In2Se3/graphene heterostructure","year":2019,"publication_date":"2019-10-01","venue":"Physica. E, Low-Dimensional systems and nanostructures","journal":{"name":"Physica E: Low-dimensional Systems and Nanostructures","pages":null,"volume":null},"journal_issn":null,"journal_title":null,"publication_types":[],"pubmed_pub_types":null,"s2_fields_of_study":["Materials Science","Physics"],"reference_count":39,"citation_count":23,"influential_citation_count":0,"is_open_access":true,"arxiv_categories":null,"arxiv_license":null,"arxiv_journal_ref":null,"mesh_headings":null,"chemicals":null,"comments_corrections":null,"source_flags":1,"s2_open_access_pdf_url":"https://www.sciencedirect.com/science/article/am/pii/S1386947719304783","s2_open_access_landing_url":"https://www.semanticscholar.org/paper/58ccf2045a52788b307a4545f15eecf5d1a2cfdb","s2_open_access_license":"publisher-specific-oa","s2_open_access_status":"BRONZE","pmc_open_access_pdf_url":null,"pmc_open_access_landing_url":null,"pmc_open_access_license":null,"pmc_open_access_status":null,"unpaywall_open_access_pdf_url":null,"unpaywall_open_access_landing_url":null,"unpaywall_open_access_license":null,"unpaywall_open_access_status":null,"abstract":"Abstract Using ab initio calculations, we have investigated the electronic structure properties of the ferroelectric α-In2Se3/graphene heterostructure. The presence of an intrinsic polarization in In2Se3 shifts the Dirac point of graphene above the Fermi level, resulting in a p-type doping, the degree of doping being dependent on the direction of the dipole with respect to the graphene layer. Also, we found that an external electric field can be used to control not only the degree of doping but also the type of Schottky contact, as n-type, p-type or Ohmic.","claims":[{"public_id":"cl_4f14dd738d1c7de6d8cfb829354fc8bf","status":"active","text":"An external electric field can control both the degree of doping and the type of Schottky contact, switching it among n-type, p-type, and Ohmic contact.","confidence":0.85,"contributors":[{"id":17,"public_id":"322360f1c1","public_label":"Killer Whale (322360f1c1)","roles":["extraction"],"url":"https://sah.borca.ai/u/322360f1c1"},{"id":2,"public_id":"4715169a40","public_label":"AK (4715169a40)","roles":["review"],"url":"https://sah.borca.ai/u/4715169a40"},{"id":1,"public_id":"12632b8b5f","public_label":"Anonymous (12632b8b5f)","roles":["review"],"url":"https://sah.borca.ai/u/12632b8b5f"}],"url":"https://sah.borca.ai/claims/cl_4f14dd738d1c7de6d8cfb829354fc8bf"},{"public_id":"cl_d41dd88d7206ae65c072dcd2779db105","status":"active","text":"Intrinsic polarization in ferroelectric α-In2Se3 shifts the Dirac point of graphene above the Fermi level, resulting in p-type doping of graphene.","confidence":0.9,"contributors":[{"id":17,"public_id":"322360f1c1","public_label":"Killer Whale (322360f1c1)","roles":["extraction"],"url":"https://sah.borca.ai/u/322360f1c1"},{"id":2,"public_id":"4715169a40","public_label":"AK (4715169a40)","roles":["review"],"url":"https://sah.borca.ai/u/4715169a40"},{"id":1,"public_id":"12632b8b5f","public_label":"Anonymous (12632b8b5f)","roles":["review"],"url":"https://sah.borca.ai/u/12632b8b5f"}],"url":"https://sah.borca.ai/claims/cl_d41dd88d7206ae65c072dcd2779db105"},{"public_id":"cl_e39af85c6ad7c1a8bca124327e2f61cd","status":"active","text":"The degree of p-type doping induced in graphene depends on the direction of the dipole in In2Se3 relative to the graphene layer.","confidence":0.85,"contributors":[{"id":17,"public_id":"322360f1c1","public_label":"Killer Whale (322360f1c1)","roles":["extraction"],"url":"https://sah.borca.ai/u/322360f1c1"},{"id":2,"public_id":"4715169a40","public_label":"AK (4715169a40)","roles":["review"],"url":"https://sah.borca.ai/u/4715169a40"},{"id":1,"public_id":"12632b8b5f","public_label":"Anonymous (12632b8b5f)","roles":["review"],"url":"https://sah.borca.ai/u/12632b8b5f"}],"url":"https://sah.borca.ai/claims/cl_e39af85c6ad7c1a8bca124327e2f61cd"}],"concepts":[{"public_id":"co_0836d8694b8cc4b838a426c55450481b","status":"active","name":"p-type doping","description":"A doping condition in which the Dirac point of graphene lies above the Fermi level, indicating hole-type charge carriers.","types":["phenomenon","outcome"],"aliases":[],"contributors":[{"id":17,"public_id":"322360f1c1","public_label":"Killer Whale (322360f1c1)","roles":["extraction"],"url":"https://sah.borca.ai/u/322360f1c1"},{"id":2,"public_id":"4715169a40","public_label":"AK (4715169a40)","roles":["review"],"url":"https://sah.borca.ai/u/4715169a40"},{"id":1,"public_id":"12632b8b5f","public_label":"Anonymous (12632b8b5f)","roles":["review"],"url":"https://sah.borca.ai/u/12632b8b5f"}],"url":"https://sah.borca.ai/concepts/co_0836d8694b8cc4b838a426c55450481b"},{"public_id":"co_096a028195e7476c4bee82459d47bb1f","status":"active","name":"Schottky contact","description":"The electrical contact formed at the interface between graphene and In2Se3, whose character can be n-type, p-type, or Ohmic.","types":["electronic structure feature"],"aliases":[],"contributors":[{"id":17,"public_id":"322360f1c1","public_label":"Killer Whale (322360f1c1)","roles":["extraction"],"url":"https://sah.borca.ai/u/322360f1c1"},{"id":2,"public_id":"4715169a40","public_label":"AK (4715169a40)","roles":["review"],"url":"https://sah.borca.ai/u/4715169a40"},{"id":1,"public_id":"12632b8b5f","public_label":"Anonymous (12632b8b5f)","roles":["review"],"url":"https://sah.borca.ai/u/12632b8b5f"}],"url":"https://sah.borca.ai/concepts/co_096a028195e7476c4bee82459d47bb1f"},{"public_id":"co_198a98b666ea318e7b1fb93acdd3b29d","status":"active","name":"direction of the dipole","description":"The orientation of the ferroelectric dipole in In2Se3 relative to the graphene layer, which affects the degree of induced doping.","types":["variable"],"aliases":[],"contributors":[{"id":17,"public_id":"322360f1c1","public_label":"Killer Whale (322360f1c1)","roles":["extraction"],"url":"https://sah.borca.ai/u/322360f1c1"},{"id":2,"public_id":"4715169a40","public_label":"AK (4715169a40)","roles":["review"],"url":"https://sah.borca.ai/u/4715169a40"},{"id":1,"public_id":"12632b8b5f","public_label":"Anonymous (12632b8b5f)","roles":["review"],"url":"https://sah.borca.ai/u/12632b8b5f"}],"url":"https://sah.borca.ai/concepts/co_198a98b666ea318e7b1fb93acdd3b29d"},{"public_id":"co_22c1031032199b46fc7043578948fc6f","status":"active","name":"ferroelectric α-In2Se3","description":"A ferroelectric layered material (α-phase In2Se3) that possesses an intrinsic electric polarization and forms one layer of the heterostructure.","types":["material"],"aliases":["α-In2Se3","In2Se3"],"contributors":[{"id":17,"public_id":"322360f1c1","public_label":"Killer Whale (322360f1c1)","roles":["extraction"],"url":"https://sah.borca.ai/u/322360f1c1"},{"id":2,"public_id":"4715169a40","public_label":"AK (4715169a40)","roles":["review"],"url":"https://sah.borca.ai/u/4715169a40"},{"id":1,"public_id":"12632b8b5f","public_label":"Anonymous (12632b8b5f)","roles":["review"],"url":"https://sah.borca.ai/u/12632b8b5f"}],"url":"https://sah.borca.ai/concepts/co_22c1031032199b46fc7043578948fc6f"},{"public_id":"co_2ad71b7d6c1298a76358ba93aa818263","status":"active","name":"Fermi level","description":"The reference energy level used to determine electronic occupation and the doping character of graphene in the heterostructure.","types":["electronic structure feature"],"aliases":[],"contributors":[{"id":17,"public_id":"322360f1c1","public_label":"Killer Whale (322360f1c1)","roles":["extraction"],"url":"https://sah.borca.ai/u/322360f1c1"},{"id":2,"public_id":"4715169a40","public_label":"AK (4715169a40)","roles":["review"],"url":"https://sah.borca.ai/u/4715169a40"},{"id":1,"public_id":"12632b8b5f","public_label":"Anonymous (12632b8b5f)","roles":["review"],"url":"https://sah.borca.ai/u/12632b8b5f"}],"url":"https://sah.borca.ai/concepts/co_2ad71b7d6c1298a76358ba93aa818263"},{"public_id":"co_44b99148793f8177a65858c7a39c0f20","status":"active","name":"external electric field","description":"An externally applied electric field used to tune the doping and contact properties of the heterostructure.","types":["variable"],"aliases":[],"contributors":[{"id":17,"public_id":"322360f1c1","public_label":"Killer Whale (322360f1c1)","roles":["extraction"],"url":"https://sah.borca.ai/u/322360f1c1"},{"id":2,"public_id":"4715169a40","public_label":"AK (4715169a40)","roles":["review"],"url":"https://sah.borca.ai/u/4715169a40"},{"id":1,"public_id":"12632b8b5f","public_label":"Anonymous (12632b8b5f)","roles":["review"],"url":"https://sah.borca.ai/u/12632b8b5f"}],"url":"https://sah.borca.ai/concepts/co_44b99148793f8177a65858c7a39c0f20"},{"public_id":"co_60c0efd9c395225251db2adf47fb537d","status":"active","name":"intrinsic polarization","description":"The built-in electric polarization present in ferroelectric α-In2Se3 due to its non-centrosymmetric structure.","types":["phenomenon"],"aliases":[],"contributors":[{"id":17,"public_id":"322360f1c1","public_label":"Killer Whale (322360f1c1)","roles":["extraction"],"url":"https://sah.borca.ai/u/322360f1c1"},{"id":2,"public_id":"4715169a40","public_label":"AK (4715169a40)","roles":["review"],"url":"https://sah.borca.ai/u/4715169a40"},{"id":1,"public_id":"12632b8b5f","public_label":"Anonymous (12632b8b5f)","roles":["review"],"url":"https://sah.borca.ai/u/12632b8b5f"}],"url":"https://sah.borca.ai/concepts/co_60c0efd9c395225251db2adf47fb537d"},{"public_id":"co_619ff61b0642bae94893a80abb9afbab","status":"active","name":"Ohmic contact","description":"A type of Schottky contact with negligible potential barrier, allowing near-free carrier flow across the graphene/In2Se3 interface.","types":["phenomenon"],"aliases":[],"contributors":[{"id":17,"public_id":"322360f1c1","public_label":"Killer Whale (322360f1c1)","roles":["extraction"],"url":"https://sah.borca.ai/u/322360f1c1"},{"id":2,"public_id":"4715169a40","public_label":"AK (4715169a40)","roles":["review"],"url":"https://sah.borca.ai/u/4715169a40"},{"id":1,"public_id":"12632b8b5f","public_label":"Anonymous (12632b8b5f)","roles":["review"],"url":"https://sah.borca.ai/u/12632b8b5f"}],"url":"https://sah.borca.ai/concepts/co_619ff61b0642bae94893a80abb9afbab"},{"public_id":"co_6c832d9f4d410784a9b4f753afa15792","status":"active","name":"Dirac point","description":"The point in graphene's electronic band structure where the valence and conduction bands meet, characteristic of its linear dispersion.","types":["electronic structure feature"],"aliases":[],"contributors":[{"id":17,"public_id":"322360f1c1","public_label":"Killer Whale (322360f1c1)","roles":["extraction"],"url":"https://sah.borca.ai/u/322360f1c1"},{"id":2,"public_id":"4715169a40","public_label":"AK (4715169a40)","roles":["review"],"url":"https://sah.borca.ai/u/4715169a40"},{"id":1,"public_id":"12632b8b5f","public_label":"Anonymous (12632b8b5f)","roles":["review"],"url":"https://sah.borca.ai/u/12632b8b5f"}],"url":"https://sah.borca.ai/concepts/co_6c832d9f4d410784a9b4f753afa15792"},{"public_id":"co_c89ea9fc8ebce49fb61b5065ba311e59","status":"active","name":"graphene","description":"A single layer of carbon atoms arranged in a honeycomb lattice, used as the two-dimensional material paired with In2Se3 in the heterostructure.","types":["material"],"aliases":[],"contributors":[{"id":17,"public_id":"322360f1c1","public_label":"Killer Whale (322360f1c1)","roles":["extraction"],"url":"https://sah.borca.ai/u/322360f1c1"},{"id":2,"public_id":"4715169a40","public_label":"AK (4715169a40)","roles":["review"],"url":"https://sah.borca.ai/u/4715169a40"},{"id":1,"public_id":"12632b8b5f","public_label":"Anonymous (12632b8b5f)","roles":["review"],"url":"https://sah.borca.ai/u/12632b8b5f"}],"url":"https://sah.borca.ai/concepts/co_c89ea9fc8ebce49fb61b5065ba311e59"},{"public_id":"co_e08b5ed1555d099ebe41bf72b199a68d","status":"active","name":"ab initio calculations","description":"A first-principles computational method used to calculate the electronic structure properties of the heterostructure without empirical parameters.","types":["method"],"aliases":[],"contributors":[{"id":17,"public_id":"322360f1c1","public_label":"Killer Whale (322360f1c1)","roles":["extraction"],"url":"https://sah.borca.ai/u/322360f1c1"},{"id":2,"public_id":"4715169a40","public_label":"AK (4715169a40)","roles":["review"],"url":"https://sah.borca.ai/u/4715169a40"},{"id":1,"public_id":"12632b8b5f","public_label":"Anonymous (12632b8b5f)","roles":["review"],"url":"https://sah.borca.ai/u/12632b8b5f"}],"url":"https://sah.borca.ai/concepts/co_e08b5ed1555d099ebe41bf72b199a68d"},{"public_id":"co_ec1e5a6adb08ccb6ddca1e2f5ba813c6","status":"active","name":"α-In2Se3/graphene heterostructure","description":"A layered heterostructure formed by stacking ferroelectric α-In2Se3 with graphene, studied for its electronic structure properties.","types":["material system"],"aliases":["In2Se3/graphene heterostructure"],"contributors":[{"id":17,"public_id":"322360f1c1","public_label":"Killer Whale (322360f1c1)","roles":["extraction"],"url":"https://sah.borca.ai/u/322360f1c1"},{"id":2,"public_id":"4715169a40","public_label":"AK (4715169a40)","roles":["review"],"url":"https://sah.borca.ai/u/4715169a40"},{"id":1,"public_id":"12632b8b5f","public_label":"Anonymous (12632b8b5f)","roles":["review"],"url":"https://sah.borca.ai/u/12632b8b5f"}],"url":"https://sah.borca.ai/concepts/co_ec1e5a6adb08ccb6ddca1e2f5ba813c6"}],"external_ids":{"DOI":"10.1016/J.PHYSE.2019.113582","ArXiv":null,"PubMed":null,"PubMedCentral":null,"MAG":2947086027,"DBLP":null,"ACL":null},"open_access":{"is_open_access":true,"pdf_url":"https://www.sciencedirect.com/science/article/am/pii/S1386947719304783","landing_url":"https://www.semanticscholar.org/paper/58ccf2045a52788b307a4545f15eecf5d1a2cfdb","source":"semantic_scholar","pdf_url_source":"semantic_scholar_open_access_pdf","license":"publisher-specific-oa","status":"BRONZE","reason":null},"reference_availability":{"status":"available","references_indexed":true,"full_text_available":false,"full_text_source":null,"count_basis":"semantic_scholar_metadata","extraction_status":"not_applicable","reason":null},"source":{"provider":"episteme2","base_corpus":"semantic_scholar_dump","freshness_mode":"unknown","basis":["semantic_scholar_metadata","postgres_metadata"],"limits":["paper metadata is based on indexed upstream scholarly datasets","claims and concepts are available only for extracted papers","absence of claims or concepts means no extracted graph data is available in this response"],"status":"available","degraded":false,"degraded_reasons":[],"diagnostics":{"status":"available","degraded":false,"degraded_reasons":[],"metadata_status":"available","graph_status":"available","abstract_status":"available"},"source_flags":1},"paper_id":632143,"paper_uid":"1ef83588-745b-473c-acfc-babc0b9577b0","canonical_identity":{"paper_id":632143,"paper_uid":"1ef83588-745b-473c-acfc-babc0b9577b0","identity_status":"available","lookup_basis":"semantic_scholar_external_id","compatibility_path":"corpus_id"},"url":"https://sah.borca.ai/papers/191162401"}