Ashkin, A., Dziedzic, J. M., Bjorkholm, J. E. & Chu, S. Observation of a single-beam gradient force optical trap for dielectric particles. Opt. Lett. 11, 288–290 (1986).
Paul, W. Electromagnetic traps for charged and neutral particles. Rev. Mod. Phys. 62, 531–540 (1990).
Eigler, D. M. & Schweizer, E. K. Positioning single atoms with a scanning tunnelling microscope. Nature 344, 524–526 (1990).
Bloch, I., Dalibard, J. & Zwerger, W. Many-body physics with ultracold gases. Rev. Mod. Phys. 80, 885–964 (2008).
Blatt, R. & Roos, C. F. Quantum simulations with trapped ions. Nat. Phys. 8, 277–284 (2012).
Khajetoorians, A. A., Wegner, D., Otte, A. F. & Swart, I. Creating designer quantum states of matter atom-by-atom. Nat. Rev. Phys. 1, 703–715 (2019).
Crewe, A. V., Wall, J. & Langmore, J. Visibility of single atoms. Science 168, 1338–1340 (1970).
Susi, T. et al. Silicon-carbon bond inversions driven by 60-keV electrons in graphene. Phys. Rev. Lett. 113, 115501 (2014).
Susi, T., Meyer, J. C. & Kotakoski, J. Manipulating low-dimensional materials down to the level of single atoms with electron irradiation. Ultramicroscopy 180, 163–172 (2017).
Dyck, O., Kim, S., Kalinin, S. V. & Jesse, S. Placing single atoms in graphene with a scanning transmission electron microscope. Appl. Phys. Lett. 111, 113104 (2017).
Tripathi, M. et al. Electron-beam manipulation of silicon dopants in graphene. Nano. Lett. 18, 5319–5323 (2018).
Hudak, B. M. et al. Directed atom-by-atom assembly of dopants in silicon. ACS Nano 12, 5873–5879 (2018).
Dyck, O. et al. Building structures atom by atom via electron beam manipulation. Small 14, 1801771 (2018).
Su, C. et al. Engineering single-atom dynamics with electron irradiation. Sci. Adv. 5, eaav2252 (2019).
Markevich, A. et al. Mechanism of electron-beam manipulation of single-dopant atoms in silicon. J. Phys. Chem. C 125, 16041–16048 (2021).
Roccapriore, K. M. et al. Probing electron beam induced transformations on a single-defect level via automated scanning transmission electron microscopy. ACS Nano 16, 17116–17127 (2022).
Boebinger, M. G. et al. The atomic drill bit: precision controlled atomic fabrication of 2D materials. Adv. Mater. 35, 2210116 (2023).
Greiner, M., Mandel, O., Esslinger, T., Hänsch, T. W. & Bloch, I. Quantum phase transition from a superfluid to a Mott insulator in a gas of ultracold atoms. Nature 415, 39–44 (2002).
Sierda, E. et al. Quantum simulator to emulate lower-dimensional molecular structure. Science 380, 1048–1052 (2023).
Bluvstein, D. et al. Logical quantum processor based on reconfigurable atom arrays. Nature 626, 58–65 (2024).
Kalff, F. E. et al. A kilobyte rewritable atomic memory. Nat. Nanotechnol. 11, 926–929 (2016).
Wolfowicz, G. et al. Quantum guidelines for solid-state spin defects. Nat. Rev. Mater. 6, 906–925 (2021).
de Leon, N. P. et al. Materials challenges and opportunities for quantum computing hardware. Science 372, eabb2823 (2021).
Jesse, S. et al. Atomic-level sculpting of crystalline oxides: toward bulk nanofabrication with single atomic plane precision. Small 11, 5895–5900 (2015).
Jesse, S. et al. Directing matter: toward atomic-scale 3D nanofabrication. ACS Nano 10, 5600–5618 (2016).
Kalinin, S. V., Borisevich, A. & Jesse, S. Fire up the atom forge. Nature 539, 485–487 (2016).
Dyck, O. et al. Atom-by-atom fabrication with electron beams. Nat. Rev. Mater. 4, 497–507 (2019).
Susi, T. Identifying and manipulating single atoms with scanning transmission electron microscopy. Chem. Commun. 58, 12274–12285 (2022).
Torres, K. et al. Probing defects and spin-phonon coupling in CrSBr via resonant Raman scattering. Adv. Funct. Mater. 33, 2211366 (2023).
Telford, E. J. et al. Layered antiferromagnetism induces large negative magnetoresistance in the van der Waals semiconductor CrSBr. Adv. Mater. 32, 2003240 (2020).
Klein, J. & Ross, F. M. Materials beyond monolayers: the magnetic quasi-1D semiconductor CrSBr. J. Mater. Res. 39, 3045–3056 (2024).
Klein, J. et al. The bulk van der Waals layered magnet CrSBr is a quasi-1D material. ACS Nano 17, 5316–5328 (2023).
Klein, J. et al. Sensing the local magnetic environment through optically active defects in a layered magnetic semiconductor. ACS Nano 17, 288–299 (2023).
Klein, J. et al. Control of structure and spin texture in the van der Waals layered magnet CrSBr. Nat. Commun. 13, 5420 (2022).
Weile, M. et al. Defect complexes in CrSBr revealed through electron microscopy and deep learning. Phys. Rev. X 15, 021080 (2025).
Cunningham, B., Grüning, M., Pashov, D. & van Schilfgaarde, M. \(\mathrm{QS}G\hat{W}\): quasiparticle self-consistent GW with ladder diagrams in W. Phys. Rev. B 108, 165104 (2023).
Pashov, D. et al. Questaal: a package of electronic structure methods based on the linear muffin-tin orbital technique. Comput. Phys. Commun. 249, 107065 (2020).
van Schilfgaarde, M., Kotani, T. & Faleev, S. Quasiparticle self-consistent GW theory. Phys. Rev. Lett. 96, 226402 (2006).
Wilson, N. P. et al. Interlayer electronic coupling on demand in a 2D magnetic semiconductor. Nat. Mater. 20, 1657–1662 (2021).
Kotliar, G. & Vollhardt, D. Strongly correlated materials: insights from dynamical mean-field theory. Phys. Today 57, 53–59 (2004).
Tokura, Y. & Nagaosa, N. Orbital physics in transition-metal oxides. Science 288, 462–468 (2000).
Giamarchi, T. Quantum Physics in One Dimension. The International Series of Monographs on Physics (Oxford Univ. Press, 2003).
Georges, A., de’ Medici, L. & Mravlje, J. Strong correlations from Hund’s coupling. Annu. Rev. Condens. Matter Phys. 4, 137–178 (2013).
Arute, F. et al. Quantum supremacy using a programmable superconducting processor. Nature 574, 505–510 (2019).
Sears, J. et al. Observation of anisotropic dispersive dark-exciton dynamics in CrSBr. Phys. Rev. Lett. 135, 146503 (2025).
Egerton, R. F., Li, P. & Malac, M. Radiation damage in the TEM and SEM. Micron 35, 399–409 (2004).
Kotakoski, J., Jin, C. H., Lehtinen, O., Suenaga, K. & Krasheninnikov, A. V. Electron knock-on damage in hexagonal boron nitride monolayers. Phys. Rev. B 82, 113404 (2010).
Komsa, H.-P. et al. Two-dimensional transition metal dichalcogenides under electron irradiation: defect production and doping. Phys. Rev. Lett. 109, 035503 (2012).
Meyer, J. C. et al. Accurate measurement of electron beam induced displacement cross sections for single-layer graphene. Phys. Rev. Lett. 108, 196102 (2012).
Susi, T., Meyer, J. C. & Kotakoski, J. Quantifying transmission electron microscopy irradiation effects using two-dimensional materials. Nat. Rev. Phys. 1, 397–405 (2019).
Kretschmer, S., Lehnert, T., Kaiser, U. & Krasheninnikov, A. V. Formation of defects in two-dimensional MoS2 in the transmission electron microscope at electron energies below the knock-on threshold: the role of electronic excitations. Nano Lett. 20, 2865–2870 (2020).
Speckmann, C. et al. Combined electronic excitation and knock-on damage in monolayer MoS2. Phys. Rev. B 107, 094112 (2023).
Roccapriore, K. M., Ross, F. M. & Klein, J. Quantitative electron beam-single atom interactions enabled by sub-20-pm precision targeting. Adv. Sci. 12, e02551 (2025).
Sang, X. et al. Dynamic scan control in STEM: spiral scans. Adv. Struct. Chem. Imag. 2, 6 (2016).
Klein, J., Roccapriore, K. M. & Ross, F. M. Real-time, rapid, and non-invasive “atomic lock-on” in the scanning transmission electron microscope with picometer precision. US patent 63/601,529 (2023).
Klein, J., Roccapriore, K. M. & Ross, F. M. Deterministic atom steering for repeated identical defect generation in the scanning transmission electron microscope. US patent 63/682,129 (2024).
Madsen, J. & Susi, T. The abTEM code: transmission electron microscopy from first principles. Open Res. Eur. 1, 24 (2021).
Ophus, C. A fast image simulation algorithm for scanning transmission electron microscopy. Adv. Struct. Chem. Imaging 3, 13 (2017).
Weile, M. & Klein, J. Github repository: mesoscale atomic engineering in a crystal lattice. GitHub https://github.com/KleinAtomLab/Mesoscale-atomic-engineering (2026).
Kresse, G. & Furthmüller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 6, 15–50 (1996).
Kresse, G. & Furthmüller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169–11186 (1996).
Blöchl, P. E. Projector augmented-wave method. Phys. Rev. B 50, 17953–17979 (1994).
Kresse, G. & Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59, 1758–1775 (1999).
Rudenko, A. N., Rösner, M. & Katsnelson, M. I. Dielectric tunability of magnetic properties in orthorhombic ferromagnetic monolayer CrSBr. npj Comput. Mater. 9, 83 (2023).
Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996).
Mostofi, A. A. et al. wannier90: a tool for obtaining maximally-localised Wannier functions. Comput. Phys. Commun. 178, 685–699 (2008).
Ismail-Beigi, S. Justifying quasiparticle self-consistent schemes via gradient optimization in Baym–Kadanoff theory. J. Phys. Condens. Matter 29, 385501 (2017).
Vidal, J., Botti, S., Olsson, P., Guillemoles, J.-F. & Reining, L. Strong interplay between structure and electronic properties in CuIn(S,Se)2 : a first-principles study. Phys. Rev. Lett. 104, 056401 (2010).
Watson, M. D. et al. Giant exchange splitting in the electronic structure of a-type 2D antiferromagnet CrSBr. npj 2D Mater. Appl. 8, 54 (2024).
Bianchi, M. et al. Paramagnetic electronic structure of CrSBr: comparison between ab initio GW theory and angle-resolved photoemission spectroscopy. Phys. Rev. B 107, 235107 (2023).
Ruta, F. L. et al. Hyperbolic exciton polaritons in a van der Waals magnet. Nat. Commun. 14, 8261 (2023).
Datta, B. et al. Magnon-mediated exciton-exciton interaction in a van der waals antiferromagnet. Nat. Mater. 24, 1027–1033 (2025).
Shao, Y. et al. Magnetically confined surface and bulk excitons in a layered antiferromagnet. Nat. Mater. 24, 391–398 (2025).
Acharya, S. et al. A theory for colors of strongly correlated electronic systems. Nat. Commun. 14, 5565 (2023).
Acharya, S. et al. Importance of charge self-consistency in first-principles description of strongly correlated systems. npj Comput. Mater. 7, 208 (2021).
Klein, J. Mesoscale atomic engineering in a crystal lattice. Zenodo https://doi.org/10.5281/zenodo.17944979 (2026).