# Twistronics ## expand\_more Our group has been at the forefront of theoretical studies of twisted materials, modeling the structural, electronic, and phononic properties that arise when two or more layered crystal lattices are twisted with respect to each other creating a moiré interference pattern with a length scale larger than the individual crystal lattices. We were part of the first collaboration to detect unconventional superconductivity and also correlated insulating behavior in twisted graphene bilayers. By leveraging careful multiscale modeling techniqes, we were able to translate the energetics calculated using density functional theory (DFT) into accurate atomic relaxation patterns at the moiré scale, which are critical for the correct determination of the electronic band structure. These modeling methods have been extended to the case of twisted graphene trilayers, as well as twisted systems built from transition metal dichalcogenides (TMDs). Changes in chemical composition, exemplified by the many combinations of Janus TMDs, combine with twist angles to yield a rich set of electronic properties. We have further studied the twist angle dependence of lattice vibrations in general bilayer systems, and are beginning to probe the effects of twisting on the electron-phonon coupling. Intercalation of small cations between the twisted bilayers is another area of recent interest. ## Recent Publications in Twistronics Download 4 citations download- [BibTeX](/bibcite/export?pager_style=no_pager&number_of_items=10&sort_field=bibcite_year--desc&taxonomy_filters%5Bfield_hwp_c_topic%5D%5B0%5D%5Btarget_id%5D=23104&&&format=bibtex) - [EndNote X3 XML](/bibcite/export?pager_style=no_pager&number_of_items=10&sort_field=bibcite_year--desc&taxonomy_filters%5Bfield_hwp_c_topic%5D%5B0%5D%5Btarget_id%5D=23104&&&format=endnote8) - [EndNote 7 XML](/bibcite/export?pager_style=no_pager&number_of_items=10&sort_field=bibcite_year--desc&taxonomy_filters%5Bfield_hwp_c_topic%5D%5B0%5D%5Btarget_id%5D=23104&&&format=endnote7) - [Endnote tagged](/bibcite/export?pager_style=no_pager&number_of_items=10&sort_field=bibcite_year--desc&taxonomy_filters%5Bfield_hwp_c_topic%5D%5B0%5D%5Btarget_id%5D=23104&&&format=tagged) - [Marc](/bibcite/export?pager_style=no_pager&number_of_items=10&sort_field=bibcite_year--desc&taxonomy_filters%5Bfield_hwp_c_topic%5D%5B0%5D%5Btarget_id%5D=23104&&&format=marc) - [PubMedId](/bibcite/export?pager_style=no_pager&number_of_items=10&sort_field=bibcite_year--desc&taxonomy_filters%5Bfield_hwp_c_topic%5D%5B0%5D%5Btarget_id%5D=23104&&&format=pubmed_id) - [RIS](/bibcite/export?pager_style=no_pager&number_of_items=10&sort_field=bibcite_year--desc&taxonomy_filters%5Bfield_hwp_c_topic%5D%5B0%5D%5Btarget_id%5D=23104&&&format=ris) ### 2022 Turkel S, Swann J, Zhu Z, Christos M, Watanabe, Taniguchi, Sachdev S, Scheurer M, Kaxiras E, Dean C, et al. [Orderly disorder in magic-angle twisted trilayer graphene](/publications/orderly-disorder-magic-angle-twisted-trilayer-graphene). Science. 2022;376(6589):193–199. doi:10.1126/science.abk1895 Turkel S, Swann J, Zhu Z, Christos M, Watanabe, Taniguchi, Sachdev S, Scheurer M, Kaxiras E, Dean C, et al. [Orderly disorder in magic-angle twisted trilayer graphene](/publications/orderly-disorder-magic-angle-twisted-trilayer-graphene). Science. 2022;376(6589):193–199. doi:10.1126/science.abk1895 ### 2021 Ledwith P, Khalaf E, Zhu Z, Carr S, Kaxiras E, Vishwanath A. [TB or not TB? Contrasting properties of twisted bilayer graphene and the alternating twist n-layer structures (n= 3, 4, 5, .)](/publications/tb-or-not-tb-contrasting-properties-twisted-bilayer-graphene-and). arXiv preprint: 2111.11060. 2021. doi:10.48550/arXiv.2111.11060 Ledwith P, Khalaf E, Zhu Z, Carr S, Kaxiras E, Vishwanath A. [TB or not TB? Contrasting properties of twisted bilayer graphene and the alternating twist n-layer structures (n= 3, 4, 5, .)](/publications/tb-or-not-tb-contrasting-properties-twisted-bilayer-graphene-and). arXiv preprint: 2111.11060. 2021. doi:10.48550/arXiv.2111.11060 ### 2020 Lu Z, Carr S, Larson D, Kaxiras E. [Lithium intercalation in MoS2 bilayers and implications for moiré flat bands](/publications/lithium-intercalation-mos-2-bilayers-and-implications-moir%C3%A9-flat). Physical Review B. 2020;102(12):125424. doi:10.1103/PhysRevB.102.125424 Lu Z, Carr S, Larson D, Kaxiras E. [Lithium intercalation in MoS2 bilayers and implications for moiré flat bands](/publications/lithium-intercalation-mos-2-bilayers-and-implications-moir%C3%A9-flat). Physical Review B. 2020;102(12):125424. doi:10.1103/PhysRevB.102.125424 Larson D, Carr S, Tritsaris G, Kaxiras E. [Effects of lithium intercalation in twisted bilayer graphene](/publications/effects-lithium-intercalation-twisted-bilayer-graphene). Physical Review B. 2020;101(7):075407. doi:10.1103/PhysRevB.101.075407 Larson D, Carr S, Tritsaris G, Kaxiras E. [Effects of lithium intercalation in twisted bilayer graphene](/publications/effects-lithium-intercalation-twisted-bilayer-graphene). Physical Review B. 2020;101(7):075407. doi:10.1103/PhysRevB.101.075407 ## Members working on Twistronics [### Albert Zhu ](/people/albert-zhu) [axzhu(at)g(dot)harvard(dot)edu](mailto:axzhu(at)g(dot)harvard(dot)edu) ![Albert Zhu](/sites/g/files/omnuum11321/files/styles/hwp_4_5__690x865/public/efthimios_kaxiras/files/albert-zhu-aps25.jpg?itok=yo6cOMyc) [### Daniel T. Larson ](/people/daniel-t-larson) Research Scientist Daniel uses density functional theory and molecular dynamics simulations to support experimental studies of novel materials, particularly twisted moiré systems. Recent work has focused on first-principles studies of atomic and electronic properties of... ![D Larson](/sites/g/files/omnuum11321/files/styles/hwp_4_5__690x865/public/efthimios_kaxiras/files/daniel.png?itok=Xcl84Cnk)