Publications

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arXiv

ResearchGate

ORCID

Preprints

"Hamiltonian reconstruction: the correlation matrix and incomplete operator bases." L. Z. Brito, S. Carr, J. A. Jacoby, J. B. Marston. (2023)
"Electronic ratchet effect in a moiré system: signatures of excitonic ferroelectricity." Z. Zheng, X. Wang, Z. Zhu, S. Carr, T. Devakul, S. de la Barrera, N. Paul, Z. Huang, A. Gao, Y. Zhang, D. Bérubé, K. N. Evancho, K. Watanabe, T. Taniguchi, L. Fu, Y. Wang, SY Xu, E. Kaxiras, P. Jarillo-Herrero, Q. Ma. (2023)
"TB or not TB? Contrasting properties of twisted bilayer graphene and the alternating twist n-layer structures (n=3,4,5,…)" P. J. Ledwith, E. Khalaf, Z. Zhu, S. Carr, E. Kaxiras, A. Vishwanath. (2021)
"Angle-Dependent Ab initio Low-Energy Hamiltonians for a Relaxed Twisted Bilayer Graphene Heterostructure." S. Fang, S. Carr, Z. Zhu, D. Massatt, E. Kaxiras. (2019)

2024

"Twisted bilayer graphene revisited: minimal two-band model for low-energy bands." D. Bennett, D. T. Larson, L. Sharma, S. Carr, E. Kaxiras. Phys. Rev. B 109, 155422. [arXiv]

2023

"Machine-learning-assisted determination of electronic correlations from magnetic resonance." A. Rao, S. Carr, C. Snider, D. E. Feldman, C. Ramanathan, V. F. Mitrović. Phys. Rev. Research 5, 043098. [arXiv]
Electronic Observables for Relaxed Bilayer Two-Dimensional Heterostructures in Momentum Space D. Massatt, S. Carr, M. Luskin. Multiscale Modeling & Simulation 21 (4), 1344-1378. [arXiv]
"Multimodal spectroscopy of order parameter distributions." S. Carr, I. K. Nikolov, R. Cong, A. Del Maestro, C. Ramanathan, V. F. Mitrović. Phys. Rev. B 108, 054421. [arXiv]
"Operando electron microscopy investigation of polar domain dynamics in twisted van der Waals homobilayers." K. Ko, A. Yuk, R. Engelke, S. Carr, J. Kim, D. Park, H. Heo, HM Kim, SG Kim, H. Kim, T. Taniguchi, K. Watanabe, H. Park, E. Kaxiras, SM Yang, P. Kim, H. Yoo. Nature Materials 22, 992–998.
"Anomalous interfacial electron transfer kinetics in twisted trilayer graphene caused by layer-specific localization." K. Zhang, Y. Yu, S. Carr, M. Babar, Z. Zhu, B. Kim, C. Groschner, N. Khaloo, T. Taniguchi, K. Watanabe, V. Viswanathan, D. K. Bediako. ACS Cent. Sci. 2023, 9, 6, 1119–1128. [arXiv]
"Rotational and dilational reconstruction in transition metal dichalcogenide moiré bilayers." M. Van Winkle, I. M. Craig, S. Carr, M. Dandu, K. C. Bustillo, J. Ciston, C. Ophus, T. Taniguchi, K. Watanabe, A. Raja, S. M. Griffin, D. K. Bediako. Nature Communications 14, 2989. [arXiv]
"Topological nature of dislocation networks in two-dimensional moiré materials." R. Engelke, H. Yoo, S. Carr, K. Xu, P. Cazeaux, R. Allen, A. M. Valdivia, M. Luskin, E. Kaxiras, M. Kim, J. H. Han, P. Kim. Phys. Rev. B 107, 125413. [arXiv]
"Multi-layered atomic relaxation in van der Waals heterostructures." D. Halbertal, L. Klebl, V. Hsieh, J. Cook, S. Carr, G. Bian, C. Dean, D. M. Kennes, D. N. Basov. Phys. Rev. X 13, 011026. [arXiv]

2022

"Seeing moiré: convolutional network learning applied to twistronics." D. Liu, M. Luskin, S. Carr. Phys. Rev. Research 4, 043224. [arXiv]
"PULSEE: A software for the quantum simulation of an extensive set of magnetic resonance observables." D. Candoli, I. K. Nikolov, L. Z. Brito, S. Carr, S. Sanna, V. F. Mitrović. Computer Physics Communications, 108598. [arXiv]
"Electric field tunable layer polarization in graphene/boron-nitride twisted quadrilayer superlattices." Z. Zhu, S. Carr, Q. Ma, E. Kaxiras, Phys. Rev. B 106, 205134. [arXiv]
"Signatures of electronic correlations and spin-susceptibility anisotropy in nuclear magnetic resonance." S. Carr, C. Snider, D. E. Feldman, C. Ramanathan, J. B. Marston, V. F. Mitrović. Phys. Rev. B 106, L041119. [arXiv]
"Tunable angle-dependent electrochemistry at twisted bilayer graphene with moiré flat bands." Y. Yu, K. Zhang, H. Parks, M. Babar, S. Carr, I. Craig, M. Van Winkle, A. Lyssenko, T. Taniguchi, K. Watanabe, V. Viswanathan, D. K. Bediako. Nature Chemistry 14, 267-273. [arXiv]

2021

"Correlated Insulating States and Transport Signature of Superconductivity in Twisted Trilayer Graphene Superlattices." X. Zhang, K-T Tsai, Z. Zhu, W. Ren, Y. Luo, S. Carr, M. Luskin, E. Kaxiras, K. Wang. Phys. Rev. Lett. 127, 166802. [arXiv]
"Geometric origins of topological insulation in twisted layered semiconductors." H. Tang, S. Carr, E. Kaxiras. Phys. Rev. B. 104, 155415. [arXiv]
"Observation of interband collective excitations in twisted bilayer graphene." N. C.H. Hesp, I. Torre, D. Rodan-Legrain, P. Novelli, Y. Cao, S. Carr, S. Fang, P. Stepanov, D. Barcons-Ruiz, H. Herzig-Sheinfux, K. Watanabe, T. Taniguchi, D. K. Efetov, E. Kaxiras, P. Jarillo-Herrero, M. Polini, and F. H.L. Koppens. Nature Physics. [arXiv]
"Modeling the optical properties of Twisted Bilayer Photonic Crystals." H. Tang, F. Du, S. Carr, C. DeVault, O. Mello, E. Mazur. Light: Science & Applications 10, 157. [arXiv]
"Computational design of moiré assemblies aided by artificial intelligence." G. A. Tritsaris, S. Carr, G. R. Schleder. Applied Physics Reviews 8, 031401. [arXiv]
"Strain fields in twisted bilayer graphene." N. P. Kazmierczak, M. Van Winkle, C. Ophus, K. C. Bustillo, H. G. Brown, S. Carr, J. Ciston, T. Taniguchi, K. Watanabe, D. Kwabena Bediako. Nature Materials 20, 956. [arXiv]
"Simulating twistronics in acoustic metamaterials." S. M. Gardezi, H. Pirie, S. Carr, W. Dorrell, J. E. Hoffman. 2D Materials 8, 031002. [arXiv]
"Moiré metrology of energy landscapes in van der Waals heterostructures." D. Halbertal, N. R. Finney, S. S. Sunku, A. Kerelsky, C. Rubio-Verdú, S. Shabani, L. Xian, S. Carr, S. Chen, C. Zhang, L. Wang, D. Gonzalez-Acevedo, A. S. McLeod, D. Rhodes, K. Watanabe, T. Taniguchi, E. Kaxiras, C. R. Dean, J. C. Hone, A. N. Pasupathy, D. M. Kennes, A. Rubio & D. N. Basov. Nature Communications 12, 242. [arXiv]

2020

"Lithium intercalation in MoS2 bilayers and implications for moire flat bands." Z. Lu, S. Carr, D. T. Larson, E. Kaxiras. Phys. Rev. B 102, 125424. [arXiv]
"Twisted Trilayer Graphene: a Precisely Tunable Platform for Correlated Electrons." Z. Zhu, S. Carr, D. Massatt, M. Luskin, E. Kaxiras. Phys. Rev. Lett. 125, 116404. [arXiv]
"In situ nanoscale imaging of moiré superlattices in twisted van der Waals heterostructures." Y. Luo, R. Engelke, M. Mattheakis, M. Tamagnone, S. Carr, K. Watanabe, T. Taniguchi, E. Kaxiras, P. Kim, W. L. Wilson. Nature Communications 11, 4209.
"Duality between atomic configurations and Bloch states in twistronic materials." S. Carr, D. Massatt, M. Luskin, E. Kaxiras. Phys. Rev. Research 2, 033162. [arXiv]
"Electronic-structure methods for twisted moiré layers." S. Carr, S. Fang, E. Kaxiras. Nature Reviews Materials 5, 748–763.
"LAN: A Materials Notation for Two-Dimensional Layered Assemblies." G. A. Tritsaris, Y. Xie, A. M. Rush, S. Carr, M. Mattheakis, and E. Kaxiras. J. Chem. Inf. Model. 2020, 60, 7, 3457–3462 [arXiv]
"Electronic structure calculations of twisted multi-layer graphene superlattices." G. A. Tritsaris, S. Carr, Z. Zhu, Y. Xie, S. B. Torrisi, J. Tang, M. Mattheakis, D. Larson, E. Kaxiras. 2D Mater. 7 035028. [arXiv]
"Ultraheavy and ultrarelativistic Dirac quasiparticles in sandwiched graphenes." S. Carr, C. Li, Z. Zhu, E. Kaxiras, S. Sachdev, A. Kruchkov. Nano Lett. 20, 5, 3030-3038. [arXiv]
"Efficient computation of Kubo conductivity for incommensurate 2D heterostructures." D. Massatt, S. Carr, M. Luskin. Eur. Phys. J. B 93, 60. [arXiv]
"Effects of lithium intercalation in twisted bilayer graphene." D. T. Larson, S. Carr, G. A. Tritsaris, E. Kaxiras. Phys. Rev. B 101, 075407. [arXiv]

2019

"Derivation of Wannier orbitals and minimal-basis tight-binding Hamiltonians for twisted bilayer graphene: First-principles approach." S. Carr, S. Fang, H. C. Po, A. Vishwanath, E. Kaxiras. Phys. Rev. Research 1, 033072. [arXiv]
"Exact continuum model for low-energy electronic states of twisted bilayer graphene." S. Carr, S. Fang, Z. Zhu, E. Kaxiras. Phys. Rev. Research 1, 013001. [arXiv]
"Atomic and electronic reconstruction at van der Waals interface in twisted bilayer graphene." H. Yoo, R. Engelke, S. Carr, S. Fang, K. Zhang, P. Cazeaux, S. H. Sung, R. Hovden, A. W. Tsen, T. Taniguchi, K. Watanabe, G. Yi, M. Kim, M. Luskin, E. B. Tadmor, E. Kaxiras, P. Kim. Nature Materials 18, 448-453. [arXiv]

2018

"Relaxation and Domain Formation in Incommensurate 2D Heterostructures." S. Carr, D. Massatt, S.B. Torrisi, P. Cazeaux, M. Luskin, E. Kaxiras. Phys. Rev. B 98, 224102. [arXiv]
"Dihedral-angle-corrected registry-dependent interlayer potential for multilayer graphene structures." M. Wen, S. Carr, S. Fang, E. Kaxiras, E. B. Tadmor. Phys. Rev. B 98, 235404. [arXiv]
"Pressure dependence of the magic twist angle in graphene superlattices." S. Carr, S. Fang, P. Jarillo-Herrero, E. Kaxiras. Phys. Rev. B 98, 085144. [arXiv]
"Electronic structure theory of strained two-dimensional materials with hexagonal symmetry." S. Fang, S. Carr, M.A. Cazalilla, E. Kaxiras. Phys. Rev. B 98, 075106. [arXiv]
"Incommensurate Heterostructures in Momentum Space." D. Massatt, S. Carr, M. Luskin, C. Ortner. SIAM Multiscale Model. Simul., 16(1), 429-451. [arXiv]

Before 2018

"Twistronics: Manipulating the electronic properties of two-dimensional layered structures through their twist angle." S. Carr, D. Massatt, S. Fang, P. Cazeaux, M. Luskin, E. Kaxiras. Phys. Rev. B 95, 075420. (2017) [arXiv]
"Direct Observation of the Proliferation of Ferroelectric Loop Domains and Vortex-Antivortex Pairs." S. C. Chae, N. Lee, Y. Horibe, M. Tanimura, S. Mori, B. Gao, S. Carr, S.-W. Cheong. Phys. Rev. Lett. 108, 167603. (2012) [arXiv]