Article de journal
Girotto Erhardt, N., Berges, J., Poncé, S., & Novko, D. (2025). Understanding the origin of superconducting dome in electron-doped MoS2 monolayer. Npj 2D Materials and Applications, 9(1), 44. https://doi.org/10.1038/s41699-025-00563-3 (Original work published 2025)
Sokolović, I., Guedes, E. B., van Waas, T., Guo, F., Poncé, S., Polley, C., Schmid, M., Diebold, U., Radović, M., Setvín, M., & Dil, J. H. (2025). Duality and degeneracy lifting in two-dimensional electron liquids on SrTiO3(001). Nature Communications, 16(1), 4594. https://doi.org/10.1038/s41467-025-59258-4 (Original work published 2025)
Lim, J., & Poncé, S. (2025). Nonperturbative Self-Consistent Electron-Phonon Spectral Functions and Transport. Physical Review Letters, 134(18), 186401. https://doi.org/10.1103/physrevlett.134.186401 (Original work published 2025)
Poncé, S., Lim, J., & Park, C.-H. (2025). Verification and validation of zero-point electron-phonon renormalization of the bandgap, mass enhancement, and spectral functions. npj Computational Materials, 11(1), 117. https://doi.org/10.1038/s41524-025-01587-5 (Original work published 2025)
Liu, Z., Mishra, S. B., Lim, J., Poncé, S., & Margine, E. R. (2025). Phonon-limited carrier transport in the Weyl semimetal TaAs. Physical Review B, 112(10), 104311. https://doi.org/10.1103/x8zl-w5x3 (Original work published 2025)
Zhou, J., Poncé, S., & Charlier, J.-C. (2025). High-throughput calculations of spin Hall conductivity in non-magnetic 2D materials. Npj 2D Materials and Applications, 9(1), 9:39. https://doi.org/10.1038/s41699-025-00562-4 (Original work published 2025)
Verstraete, M. J., Abreu, J., Allemand, G. E., Amadon, B., Antonius, G., Azizi, M., Baguet, L., Barat, C., Bastogne, L., Béjaud, R., Beuken, J.-M., Bieder, J., Blanchet, A., Bottin, F., Bouchet, J., Bouquiaux, J., Bousquet, E., Boust, J., Brieuc, F., et al. (2025). Abinit 2025: New capabilities for the predictive modeling of solids and nanomaterials. Journal of Chemical Physics, 163(16). https://doi.org/10.1063/5.0288278 (Original work published 2025)
Claes, R., Poncé, S., Rignanese, G.-M., & Hautier, G. (2025). Phonon-limited electronic transport through first principles. Nature Reviews Physics, 7(2), 73-90. https://doi.org/10.1038/s42254-024-00795-0 (Original work published 2025)
Goudreault, F. A., Poncé, S., Giustino, F., & Côté, M. (2025). Effects of spin-orbit coupling and thermal expansion on the phonon-limited resistivity of Pb from first principles. Physical Review B, 112(24), 245160. https://doi.org/10.1103/sx19-ktq2 (Original work published 2025)
Bercx, M., Poncé, S., Zhang, Y., Trezza, G., Ghezeljehmeidan, A. G., Bastonero, L., Qiao, J., von Rohr, F. O., Pizzi, G., Chiavazzo, E., & Marzari, N. (2025). Charting the Landscape of Bardeen-Cooper-Schrieffer Superconductors in Experimentally Known Compounds. PRX Energy, 4(3), 33012. https://doi.org/10.1103/sb28-fjc9 (Original work published 2025)
Yin, J., Olle Hellman, & Poncé, S. (2025). Impact of anharmonicity on the carrier mobility of the Pb-free CsSnBr3 perovskite. Impact of anharmonicity on the carrier mobility of the Pb-free CsSnBr3 perovskite, 112(L140303), 1-8. https://doi.org/10.1103/yssy-5t2v (Original work published 2025)
Vasilchenko, V., Giantomassi, M., Poncé, S., & Gonze, X. (2025). Variational first-principles approach to self-trapped polarons. Physical Review B, 112(1), 14314. https://doi.org/10.1103/12b6-yj6n (Original work published 2025)
Marazzi, E., Poncé, S., Charlier, J.-C., & Rignanese, G.-M. (2025). Importance of Nonadiabatic Effects in Kohn Anomalies in 1D Metals. Physical Review Letters, 135(25). https://doi.org/10.1103/x69r-8fw1 (Original work published 2025)
Article de journal
Rudra, S., Rao, D., Poncé, S., & Saha, B. (2024). Dominant Scattering Mechanisms in Limiting the Electron Mobility of Scandium Nitride. Nano Letters : a journal dedicated to nanoscience and nanotechnology, 24(37), 11529-11536. https://doi.org/10.1021/acs.nanolett.4c02920 (Original work published 2024)
Zhou, J., Poncé, S., & Charlier, J.-C. (2024). Guidelines for accurate and efficient calculations of mobilities in two-dimensional semiconductors. Physical Review B, 110(12), 125304. https://doi.org/10.1103/physrevb.110.125304 (Original work published 2024)
Roisin, N., Brunin, G., Rignanese, G.-M., Flandre, D., Raskin, J.-P., & Poncé, S. (2024). Phonon-limited mobility for electrons and holes in highly-strained silicon. npj Computational Materials, 10(1), 242. https://doi.org/10.1038/s41524-024-01425-0 (Original work published 2024)
Lim, J., Poncé, S., & Park, C.-H. (2024). Self-consistent electron lifetimes for electron-phonon scattering. Physical Review B, 110(12), L121106. https://doi.org/10.1103/physrevb.110.l121106 (Original work published 2024)
Yang, X., Guo, P., Hu, S., Gao, Z., Yao, W., Cheng, J., Poncé, S., Wang, B., & Ren, W. (2024). Ab initio study of temperature-dependent piezoelectric and electronic properties of thermally stable GaPO4. Physical Chemistry Chemical Physics, 26(32), 21530-21537. https://doi.org/10.1039/d4cp02270j (Original work published 2024)
Wang, A., Bushick, K., Pant, N., Lee, W., Zhang, X., Leveillee, J., Giustino, F., Poncé, S., & Kioupakis, E. (2024). Electron mobility of SnO2 from first principles. Applied Physics Letters, 124(17), 172103. https://doi.org/10.1063/5.0198885 (Original work published 2024)
Zhou, J., Poncé, S., & Charlier, J.-C. (2024). Enhanced spin Hall ratio in two-dimensional semiconductors. npj Computational Materials, 10(1), 247. https://doi.org/10.1038/s41524-024-01434-z (Original work published 2024)
Bosoni, E., Beal, L., Bercx, M., Blaha, P., Blügel, S., Bröder, J., Callsen, M., Cottenier, S., Degomme, A., Dikan, V., Eimre, K., Flage-Larsen, E., Fornari, M., Garcia, A., Genovese, L., Giantomassi, M., Huber, S. P., Janssen, H., Kastlunger, G., et al. (2024). How to verify the precision of density-functional-theory implementations via reproducible and universal workflows. Nature Reviews Physics, 6(1), 45-58. https://doi.org/10.1038/s42254-023-00655-3 (Original work published 2023)
Article de journal
Rudra, S., Rao, D., Poncé, S., & Saha, B. (2023). Reversal of Band-Ordering Leads to High Hole Mobility in Strained p-type Scandium Nitride. Nano Letters : a journal dedicated to nanoscience and nanotechnology, 23(17), 8211-8217. https://doi.org/10.1021/acs.nanolett.3c02350 (Original work published 2023)
Poncé, S., Royo, M., Stengel, M., Marzari, N., & Gibertini, M. (2023). Long-range electrostatic contribution to electron-phonon couplings and mobilities of two-dimensional and bulk materials. Physical Review B, 107(15), 155424. https://doi.org/10.1103/physrevb.107.155424 (Original work published 2023)
Lee, H., Poncé, S., Bushick, K., Hajinazar, S., Lafuente-Bartolome, J., Leveillee, J., Lian, C., Lihm, J.-M., Macheda, F., Mori, H., Paudyal, H., Sio, W. H., Tiwari, S., Zacharias, M., Zhang, X., Bonini, N., Kioupakis, E., Margine, E. R., & Giustino, F. (2023). Electron–phonon physics from first principles using the EPW code. npj Computational Materials, 9(1), 156. https://doi.org/10.1038/s41524-023-01107-3 (Original work published 2023)
Margot, F., Lisi, S., Cucchi, I., Cappelli, E., Hunter, A., Gutiérrez-Lezama, I., Ma, K., von Rohr, F., Berthod, C., Petocchi, F., Poncé, S., Marzari, N., Gibertini, M., Tamai, A., Morpurgo, A. F., & Baumberger, F. (2023). Electronic Structure of Few-Layer Black Phosphorus from μ-ARPES. Nano Letters : a journal dedicated to nanoscience and nanotechnology, 23(14), 6433-6439. https://doi.org/10.1021/acs.nanolett.3c01226 (Original work published 2023)
Bouquiaux, J., Poncé, S., Jia, Y., Miglio, A., Mikami, M., & Gonze, X. (2023). A First-Principles Explanation of the Luminescent Line Shape of SrLiAl3N4:Eu2+ Phosphor for Light-Emitting Diode Applications. Chemistry of Materials, 35(14), 5353-5361. https://doi.org/10.1021/acs.chemmater.3c00537 (Original work published 2023)
Poncé, S., Royo, M., Gibertini, M., Marzari, N., & Stengel, M. (2023). Accurate Prediction of Hall Mobilities in Two-Dimensional Materials through Gauge-Covariant Quadrupolar Contributions. Physical Review Letters, 130(16), 166301. https://doi.org/10.1103/physrevlett.130.166301 (Original work published 2023)
Berges, J., Girotto, N., Wehling, T., Marzari, N., & Poncé, S. (2023). Phonon Self-Energy Corrections: To Screen, or Not to Screen. Physical Review X, 13(4), 41009. https://doi.org/10.1103/physrevx.13.041009 (Original work published 2023)
Papier de conférence
Poncé, S. (2022). Lecture: Superconductivity and carrier transport modeling with EPW. Wannier 2022 Summer School, Trieste, Italy.
Poncé, S., Royo, M., Stengel, M., Marzari, N., & Gibertini, M. (2022). Importance of long-range electrostatic to the electron-phonon couplings of 2D materials. Psi-k Conference 2022, Lausanne, Switzerland.
Poncé, S. (2022). Efficient transport calculations in 2D materials,. 2022 APS March Meeting, Chicago, USA.
Poncé, S. (2022). Lab - Carrier transport using the EPW code. 9th SiNANO Modelling and Simulation Summer School, University of Glasgow - UK.
Poncé, S. (2022). Lecture: Carrier transport. 2022 School on Electron-Phonon Physics from first principles, Austin, USA.
Article de journal
Lin, C., Poncé, S., & Marzari, N. (2022). General invariance and equilibrium conditions for lattice dynamics in 1D, 2D, and 3D materials. npj Computational Materials, 8(1), 236. https://doi.org/10.1038/s41524-022-00920-6 (Original work published 2022)
Leveillee, J., Poncé, S., Adamski, N. L., Van de Walle, C. G., & Feliciano Giustino. (2022). Anisotropic-strain-enhanced hole mobility in GaN by lattice matching to ZnGeN2 and MgSiN2. Applied Physics Letters, 120(1), 202106. https://doi.org/10.1063/5.0092709 (Original work published 2022)
Article de journal
Xia, C. Q., Peng, J., Poncé, S., Patel, J. B., Wright, A. D., Crothers, T. W., Uller Rothmann, M., Borchert, J., Milot, R. L., Kraus, H., Lin, Q., Giustino, F., Herz, L. M., & Johnston, M. B. (2021). Limits to Electrical Mobility in Lead-Halide Perovskite Semiconductors. Journal of Physical Chemistry Letters, 12(14), 3607-3617. https://doi.org/10.1021/acs.jpclett.1c00619 (Original work published 2021)
Poncé, S., Macheda, F., Margine, E. R., Marzari, N., Bonini, N., & Giustino, F. (2021). First-principles predictions of Hall and drift mobilities in semiconductors. Physical Review Research, 3(4), 43022. https://doi.org/10.1103/physrevresearch.3.043022 (Original work published 2021)
Huber, S. P., Bosoni, E., Bercx, M., Bröder, J., Degomme, A., Dikan, V., Eimre, K., Flage-Larsen, E., Garcia, A., Genovese, L., Gresch, D., Johnston, C., Petretto, G., Poncé, S., Rignanese, G.-M., Sewell, C. J., Smit, B., Tseplyaev, V., Uhrin, M., et al. (2021). Common workflows for computing material properties using different quantum engines. npj Computational Materials, 7(136), 12. https://doi.org/10.1038/s41524-021-00594-6 (Original work published 2021)
Bouquiaux, J., Poncé, S., Jia, Y., Miglio, A., Mikami, M., & Gonze, X. (2021). Importance of Long‐Range Channel Sr Displacements for the Narrow Emission in Sr[Li 2 Al 2 O 2 N 2 ]:Eu 2+ Phosphor. Advanced Optical Materials, 2100649. https://doi.org/10.1002/adom.202100649 (Original work published 2021)
Xia, C. Q., Poncé, S., Peng, J., Ulatowski, A. M., Patel, J. B., Wright, A. D., Milot, R. L., Kraus, H., Lin, Q., Herz, L. M., Giustino, F., & Johnston, M. B. (2021). Ultrafast photo-induced phonon hardening due to Pauli blocking in MAPbI3 single-crystal and polycrystalline perovskites. Journal of Physics: Materials, 4(4), 44017. https://doi.org/10.1088/2515-7639/ac22b9 (Original work published 2021)
Kobayashi, R., Goumans, T. P. M., Carstensen, N. O., Soini, T. M., Marzari, N., Timrov, I., Poncé, S., Linscott, E. B., Sewell, C. J., Pizzi, G., Ramirez, F., Bercx, M., Huber, S. P., Adorf, C. S., & Talirz, L. (2021). Virtual Computational Chemistry Teaching Laboratories—Hands-On at a Distance. Journal of Chemical Education, 98(10), 3163-3171. https://doi.org/10.1021/acs.jchemed.1c00655 (Original work published 2021)
Papier de conférence
Poncé, S. (2021). Lecture: Carrier transport and Boltzmann equation. 2021 Virtual School on Electron-Phonon Physics and the EPW code, Virtual.
Poncé, S. (2021). Ab initio calculation of carrier mobility in bulk and low-dimensional materials. Capturing Anharmonic Vibrational Motion in First-Principles Simulations, Virtual.
Article de journal
Poncé, S., & Giustino, F. (2020). Structural, electronic, elastic, power, and transport properties of β−Ga2O3 from first principles. Physical Review Research, 2(3), 33102. https://doi.org/10.1103/physrevresearch.2.033102 (Original work published 2020)
Jia, Y., Poncé, S., Miglio, A., Mikami, M., & Gonze, X. (2020). Design rule for the emission linewidth of Eu2+-activated phosphors. Journal of Luminescence, 224, 117258. https://doi.org/10.1016/j.jlumin.2020.117258 (Original work published 2020)
Paudyal, H., Poncé, S., Giustino, F., & Margine, E. R. (2020). Superconducting properties of MoTe2 from ab initio anisotropic Migdal-Eliashberg theory. Physical Review B, 101(21), 214515. https://doi.org/10.1103/physrevb.101.214515 (Original work published 2020)
Poncé, S., Li, W., Reichardt, S., & Giustino, F. (2020). First-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials. Reports on Progress in Physics, 83(3), 36501. https://doi.org/10.1088/1361-6633/ab6a43 (Original work published 2020)
Pizzi, G., Vitale, V., Arita, R., Blügel, S., Freimuth, F., Géranton, G., Gibertini, M., Gresch, D., Johnson, C., Koretsune, T., Ibañez-Azpiroz, J., Lee, H., Lihm, J.-M., Marchand, D., Marrazzo, A., Mokrousov, Y., Mustafa, J. I., Nohara, Y., Nomura, Y., et al. (2020). Wannier90 as a community code: new features and applications. Journal of Physics: Condensed Matter, 32(16), 165902. https://doi.org/10.1088/1361-648x/ab51ff (Original work published 2020)
Macheda, F., Poncé, S., Giustino, F., & Bonini, N. (2020). Theory and Computation of Hall Scattering Factor in Graphene. Nano Letters : a journal dedicated to nanoscience and nanotechnology, 20(12), 8861-8865. https://doi.org/10.1021/acs.nanolett.0c03874 (Original work published 2020)
Article de journal
Li, W., Poncé, S., & Giustino, F. (2019). Dimensional Crossover in the Carrier Mobility of Two-Dimensional Semiconductors: The Case of InSe. Nano Letters : a journal dedicated to nanoscience and nanotechnology, 19(3), 1774-1781. https://doi.org/10.1021/acs.nanolett.8b04799 (Original work published 2019)
Poncé, S., Schlipf, M., & Giustino, F. (2019). Origin of Low Carrier Mobilities in Halide Perovskites. ACS Energy Letters, 4(2), 456-463. https://doi.org/10.1021/acsenergylett.8b02346 (Original work published 2019)
Poncé, S., Jena, D., & Giustino, F. (2019). Hole mobility of strained GaN from first principles. Physical Review B, 100(8), 85204. https://doi.org/10.1103/physrevb.100.085204 (Original work published 2019)
Jia, Y., Poncé, S., Miglio, A., Mikami, M., & Gonze, X. (2019). Beyond the one-dimensional configuration coordinate model of photoluminescence. Physical Review B, 100(15), 155109. https://doi.org/10.1103/physrevb.100.155109 (Original work published 2019)
Poncé, S., Jena, D., & Giustino, F. (2019). Route to High Hole Mobility in GaN via Reversal of Crystal-Field Splitting. Physical Review Letters, 123(9), 96602. https://doi.org/10.1103/physrevlett.123.096602 (Original work published 2019)
Sio, W. H., Verdi, C., Poncé, S., & Giustino, F. (2019). Ab initio theory of polarons: Formalism and applications. Physical Review B, 99(23), 235139. https://doi.org/10.1103/physrevb.99.235139 (Original work published 2019)
Sio, W. H., Verdi, C., Poncé, S., & Giustino, F. (2019). Polarons from First Principles, without Supercells. Physical Review Letters, 122(24), 246403. https://doi.org/10.1103/physrevlett.122.246403 (Original work published 2019)
Papier de conférence
Poncé, S. (2019). Electronic transport and the EPW software. UK Thermoelectric Network Meeting, London, UK.
Poncé, S. (2019). Predictive calculations of phonon-limited carrier mobilities in semiconductors. Electron-phonon coupling workshop, Lugano, Switzerland.
Papier de conférence
Poncé, S. (2018). Introduction to the Boltzmann transport equation,. School on Electron-Phonon Physics from First Principles, Trieste, Italy.
Poncé, S. (2018). Towards predictive calculations of phonon-limited carrier mobilities in semiconductors. Workshop on electron-phonon interaction, Louvain-la-Neuve.
Poncé, S. (2018). EPW in a nutshell. School on Electron-Phonon Physics from First Principles, Trieste, Italy.
Article de journal
Schlipf, M., Poncé, S., & Giustino, F. (2018). Carrier Lifetimes and Polaronic Mass Enhancement in the Hybrid Halide Perovskite CH3NH3PbI3 from Multiphonon Fröhlich Coupling. Physical Review Letters, 121(8), 86402. https://doi.org/10.1103/physrevlett.121.086402 (Original work published 2018)
Caruso, F., Verdi, C., Poncé, S., & Giustino, F. (2018). Electron-plasmon and electron-phonon satellites in the angle-resolved photoelectron spectra of n-doped anatase TiO2. Physical Review B, 97(16), 165113. https://doi.org/10.1103/physrevb.97.165113 (Original work published 2018)
Poncé, S., Margine, E. R., & Giustino, F. (2018). Towards predictive many-body calculations of phonon-limited carrier mobilities in semiconductors. Physical Review B, 97(12), 121201. https://doi.org/10.1103/physrevb.97.121201 (Original work published 2018)
Article de journal
Jia, Y., Miglio, A., Poncé, S., Mikami, M., & Gonze, X. (2017). First-principles study of the luminescence of Eu2+-doped phosphors. Physical Review B, 96(12), 125132. https://doi.org/10.1103/physrevb.96.125132 (Original work published 2017)
Heil, C., Poncé, S., Lambert, H., Schlipf, M., Margine, E. R., & Giustino, F. (2017). Origin of Superconductivity and Latent Charge Density Wave in NbS2. Physical Review Letters, 119(8), 87003. https://doi.org/10.1103/physrevlett.119.087003 (Original work published 2017)
Jia, Y., Poncé, S., Miglio, A., Mikami, M., & Gonze, X. (2017). Assessment of First-Principles and Semiempirical Methodologies for Absorption and Emission Energies of Ce3+ -Doped Luminescent Materials. Advanced Optical Materials, 5(7), 1600997. https://doi.org/10.1002/adom.201600997 (Original work published 2017)
Giannozzi, P., Andreussi, O., Brumme, T., Bunau, O., Buongiorno Nardelli, M., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Cococcioni, M., Colonna, N., Carnimeo, I., Dal Corso, A., de Gironcoli, S., Delugas, P., DiStasio, R. A., Ferretti, A., Floris, A., Fratesi, G., et al. (2017). Advanced capabilities for materials modelling with Quantum ESPRESSO. Journal of Physics: Condensed Matter, 29(46), 465901. https://doi.org/10.1088/1361-648x/aa8f79 (Original work published 2017)
Article de journal
Jia, Y., Miglio, A., Poncé, S., Gonze, X., & Mikami, M. (2016). First-principles study ofCe3+-dopedlanthanum silicate nitride phosphors: Neutral excitation, Stokes shift, and luminescent center identification. Physical review. B, Condensed matter and materials physics, 93(15), 155111. https://doi.org/10.1103/PhysRevB.93.155111 (Original work published 2016)
Poncé, S., Jia, Y., Giantomassi, M., Mikami, M., & Gonze, X. (2016). Understanding Thermal Quenching of Photoluminescence in Oxynitride Phosphors from First Principles. The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 120(7), 4040-4047. https://doi.org/10.1021/acs.jpcc.5b12361 (Original work published 2016)
Poncé, S., Margine, E. R., Verdi, C., & Giustino, F. (2016). EPW: Electron–phonon coupling, transport and superconducting properties using maximally localized Wannier functions. Computer Physics Communications, 209, 116-133. https://doi.org/10.1016/j.cpc.2016.07.028 (Original work published 2016)
Gonze, X., Jollet, F., Abreu Araujo, F., Adams, D., Amadon, B., Applencourt, T., Audouze, C., Beuken, J.-M., Bieder, J., Bokhanchuk, A., Bousquet, E., Bruneval, F., Caliste, D., Côté, M., Dahm, F., Da Pieve, F., Delaveau, M., Di Gennaro, M., Dorado, B., et al. (2016). Recent developments in the ABINIT software package. Computer Physics Communications, 205, 106-131. https://doi.org/10.1016/j.cpc.2016.04.003 (Original work published 2016)
Laflamme Janssen, J., Gillet, Y., Poncé, S., Martin, A., Torrent, M., & Gonze, X. (2016). Precise effective masses from density functional perturbation theory. Physical review. B, Condensed matter and materials physics, 93(20), 205147. https://doi.org/10.1103/PhysRevB.93.205147 (Original work published 2016)
Saidi, W. A., Poncé, S., & Monserrat, B. (2016). Temperature Dependence of the Energy Levels of Methylammonium Lead Iodide Perovskite from First-Principles. Journal of Physical Chemistry Letters, 7(24), 5247-5252. https://doi.org/10.1021/acs.jpclett.6b02560 (Original work published 2016)
Papier de conférence
Poncé, S. (2016). The EPW software. Advanced Quantum Espresso Developers’ meeting: Linear Response, Trieste, Italy.
Article de journal
Antonius, G., Poncé, S., Lantagne-Hurtubise, E., Auclair, G., Gonze, X., & Côté, M. (2015). Dynamical and anharmonic effects on the electron-phonon coupling and the zero-point renormalization of the electronic structure. Physical review. B, Condensed matter and materials physics, 92(8), 85137. https://doi.org/10.1103/PhysRevB.92.085137 (Original work published 2015)
Marini, A., Poncé, S., & Gonze, X. (2015). Many-body perturbation theory approach to the electron-phonon interaction with density-functional theory as a starting point. Physical review. B, Condensed matter and materials physics, 91(22), 224310. https://doi.org/10.1103/PhysRevB.91.224310 (Original work published 2015)
Poncé, S., Gillet, Y., Laflamme Janssen, J., Marini, A., Verstraete, M., & Gonze, X. (2015). Temperature dependence of the electronic structure of semiconductors and insulators. Journal of Chemical Physics, 143, 102813. https://doi.org/10.1063/1.4927081 (Original work published 2015)
Papier de conférence
Poncé, S., Antonius, G., Gillet, Y., Boulanger, P., Laflamme Janssen, J., & Marini, A. (2015). Temperature dependence of electronic eigenenergies in the adiabatic harmonic approximation. Electron-phonon Meeting, Rome, Italie.
Poncé, S., Gillet, Y., Laflamme Janssen, J., Marini, A., Verstraete, M., & Gonze, X. (2015). Temperature Dependence of the Electronic Structure of Semiconductors and Insulators. CECAM Workshop “Electron-vibration coupling : theoretical and numerical challenges”, Lausanne.
Poncé, S. (2015). Temperature dependence of the electronic structure: the Allen-Heine-Cardona formalism and beyond. 7th International Abinit Developer Workshop, Liège, Belgium.
Poncé, S. (2015). Temperature dependence of the electronic structure of semiconductors and insulators. Electron-vibration coupling: theoretical and numerical challenges, Lausanne, Switzerland.
Thèse
Poncé, S. (2015). First-principles study of phosphors for white LEDs applications and of the temperature dependence of the electronic structure.
