Novoselov, K. S. et al. Two-dimensional gas of massless Dirac fermions in graphene. Nature 438, 197–200 (2005).
Castro Neto, A. H., Guinea, F., Peres, N. M., Novoselov, K. S. & Geim, A. K. The electronic properties of graphene. Rev. Mod. Phys. 81, 109–162 (2009).
Geim, A. K. & Novoselov, K. S. The rise of graphene. Nat. Mater. 6, 183–191 (2007).
Eisenstein, J. & MacDonald, A. H. Bose–Einstein condensation of excitons in bilayer electron systems. Nature 432, 691–694 (2004).
Liu, X. et al. Crossover between strongly coupled and weakly coupled exciton superfluids. Science 375, 205–209 (2022).
Tulyagankhodjaev, J. A. et al. Room-temperature wavelike exciton transport in a van der Waals superatomic semiconductor. Science 382, 438–442 (2023).
Louie, S. G., Chan, Y.-H., da Jornada, F. H., Li, Z. & Qiu, D. Y. Discovering and understanding materials through computation. Nat. Mater. 20, 728–735 (2021).
Qiu, D. Y., Cao, T. & Louie, S. G. Nonanalyticity, valley quantum phases, and lightlike exciton dispersion in monolayer transition metal dichalcogenides: theory and first-principles calculations. Phys. Rev. Lett. 115, 176801 (2015).
Qiu, D. Y., Cohen, G., Novichkova, D. & Refaely-Abramson, S. Signatures of dimensionality and symmetry in exciton band structure: consequences for exciton dynamics and transport. Nano Lett. 21, 7644–7650 (2021).
Yu, H., Liu, G.-B., Gong, P., Xu, X. & Yao, W. Dirac cones and Dirac saddle points of bright excitons in monolayer transition metal dichalcogenides. Nat. Commun. 5, 3876 (2014).
Wu, F., Qu, F. & MacDonald, A. H. Exciton band structure of monolayer MoS2. Phys. Rev. B 91, 075310 (2015).
Ito, H., Buck, W. W. & Gross, F. Electromagnetic properties of the pion as a composite Nambu-Goldstone boson. Phys. Rev. C 45, 1918–1934 (1992).
Boschini, F., Zonno, M. & Damascelli, A. Time-resolved ARPES studies of quantum materials. Rev. Mod. Phys. 96, 015003 (2024).
Madéo, J. et al. Directly visualizing the momentum-forbidden dark excitons and their dynamics in atomically thin semiconductors. Science 370, 1199–1204 (2020).
Schuster, R., Habenicht, C., Ahmad, M., Knupfer, M. & Büchner, B. Direct observation of the lowest indirect exciton state in the bulk of hexagonal boron nitride. Phys. Rev. B 97, 041201 (2018).
Nicolaou, A. et al. Direct measurement of the longitudinal exciton dispersion in h-BN by resonant inelastic X-ray scattering. Phys. Rev. B 112, 085207 (2025).
Hong, J., Senga, R., Pichler, T. & Suenaga, K. Probing exciton dispersions of freestanding monolayer WSe2 by momentum-resolved electron energy-loss spectroscopy. Phys. Rev. Lett. 124, 087401 (2020).
Hong, J. et al. Deciphering the intense postgap absorptions of monolayer transition metal dichalcogenides. ACS Nano 15, 7783–7789 (2021).
Shih, Y.-C., Nilsson, F. A. & Guo, G.-Y. Electron energy loss spectra and exciton band structure of WSe2 monolayers studied by ab initio Bethe-Salpeter equation calculations. Phys. Rev. B 110, 205417 (2024).
Koskelo, J. et al. Excitons in van der Waals materials: from monolayer to bulk hexagonal boron nitride. Phys. Rev. B 95, 035125 (2017).
Cudazzo, P. et al. Exciton band structure in two-dimensional materials. Phys. Rev. Lett. 116, 066803 (2016).
Elias, C. et al. Direct band-gap crossover in epitaxial monolayer boron nitride. Nat. Commun. 10, 2639 (2019).
Zhang, F. et al. Intervalley excitonic hybridization, optical selection rules, and imperfect circular dichroism in monolayer h-BN. Phys. Rev. Lett. 128, 047402 (2022).
Deslippe, J. et al. BerkeleyGW: a massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures. Comput. Phys. Commun. 183, 1269–1289 (2012).
Hybertsen, M. S. & Louie, S. G. Electron correlation in semiconductors and insulators: band gaps and quasiparticle energies. Phys. Rev. B 34, 5390 (1986).
Rohlfing, M. & Louie, S. G. Electron-hole excitations and optical spectra from first principles. Phys. Rev. B 62, 4927 (2000).
Perdew, J. P. & Zunger, A. Self-interaction correction to density-functional approximations for many-electron systems. Phys. Rev. B 23, 5048 (1981).
Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865 (1996).
Ishigami, M., Aloni, S. & Zettl, A. Properties of boron nitride nanotubes. AIP Conf. Proc. 696, 94–99 (2003).
Lechifflart, P., Paleari, F., Sangalli, D. & Attaccalite, C. First-principles study of luminescence in hexagonal boron nitride single layer: exciton-phonon coupling and the role of substrate. Phys. Rev. Mater. 7, 024006 (2023).
Marini, G., Calandra, M. & Cudazzo, P. Optical absorption and photoluminescence of single-layer boron nitride from a first-principles cumulant approach. Nano Lett. 24, 6017–6022 (2024).
Elias, D. et al. Dirac cones reshaped by interaction effects in suspended graphene. Nat. Phys. 7, 701–704 (2011).
Rousseau, A. et al. Monolayer boron nitride: hyperspectral imaging in the deep ultraviolet. Nano Lett. 21, 10133–10138 (2021).
Shima, K. et al. Cathodoluminescence spectroscopy of monolayer hexagonal boron nitride. Sci. Rep. 14, 169 (2024).
Ugeda, M. M. et al. Giant bandgap renormalization and excitonic effects in a monolayer transition metal dichalcogenide semiconductor. Nat. Mater. 13, 1091–1095 (2014).
Qiu, D. Y., da Jornada, F. H. & Louie, S. G. Environmental screening effects in 2D materials: renormalization of the bandgap, electronic structure, and optical spectra of few-layer black phosphorus. Nano Lett. 17, 4706–4712 (2017).
Utama, M. I. B. et al. A dielectric-defined lateral heterojunction in a monolayer semiconductor. Nat. Electron. 2, 60–65 (2019).
Raja, A. et al. Coulomb engineering of the bandgap and excitons in two-dimensional materials. Nat. Commun. 8, 15251 (2017).
Andreani, L., Bassani, F. & Quattropani, A. Longitudinal-transverse splitting in Wannier excitons and polariton states. Nuovo Cimento D 10, 1473–1486 (1988).
Egri, I. Excitons and plasmons in metals, semiconductors and insulators: a unified approach. Phys. Rep. 119, 363–402 (1985).
Antonius, G. & Louie, S. G. Theory of exciton-phonon coupling. Phys. Rev. B 105, 085111 (2022).
Chen, H.-Y., Sangalli, D. & Bernardi, M. Exciton-phonon interaction and relaxation times from first principles. Phys. Rev. Lett. 125, 107401 (2020).
Chan, Y. et al. Exciton lifetime and optical line width profile via exciton–phonon interactions: theory and first-principles calculations for monolayer MoS2. Nano Lett. 23, 3971–3977 (2023).
Fujita, S., Kimura, T. & Zheng, Y. On the Bose–Einstein condensation of free relativistic bosons with or without mass. Found. Phys. 21, 1117–1130 (1991).
Su, C. et al. Fundamentals and emerging optical applications of hexagonal boron nitride: a tutorial. Adv. Opt. Photonics 16, 229–346 (2024).
Haque, Md. A. Feature Engineering & Selection for Explainable Models: A Second Course for Data Scientists (Lulu, 2022).
Giannozzi, P. et al. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. J. Phys.: Condens. Matter 21, 395502 (2009).
Giannozzi, P. et al. Advanced capabilities for materials modelling with QUANTUM ESPRESSO. J. Phys.: Condens. Matter 29, 465901 (2017).
Hamann, D. Optimized norm-conserving Vanderbilt pseudopotentials. Phys. Rev. B 88, 085117 (2013).
Schlipf, M. & Gygi, F. Optimization algorithm for the generation of ONCV pseudopotentials. Comput. Phys. Commun. 196, 36–44 (2015).
Gao, W. et al. Quasiparticle energies and optical excitations of 3C-SiC divacancy from GW and GW plus Bethe-Salpeter equation calculations. Phys. Rev. Mater. 6, 036201 (2022).
Altman, A. R., Kundu, S. & da Jornada, F. H. Mixed stochastic-deterministic approach for many-body perturbation theory calculations. Phys. Rev. Lett. 132, 086401 (2024).
Hou, B., Wu, J. & Qiu, D. Y. Unsupervised representation learning of Kohn–Sham states and consequences for downstream predictions of many-body effects. Nat. Commun. 15, 9481 (2024).
Ismail-Beigi, S. Truncation of periodic image interactions for confined systems. Phys. Rev. B 73, 233103 (2006).
da Jornada, F. H., Qiu, D. Y. & Louie, S. G. Nonuniform sampling schemes of the Brillouin zone for many-electron perturbation-theory calculations in reduced dimensionality. Phys. Rev. B 95, 035109 (2017).
Liu, L. Y. Direct observation of massless excitons and linear exciton dispersion. figshare https://doi.org/10.6084/m9.figshare.30960242 (2025).