Tellez-Mora, A., He, X., Bousquet, E., Wirtz, L., & Romero, A. (23 January 2024). Systematic determination of a material’s magnetic ground state from first principles. npj Computational Materials, 10 (1), 20. doi:10.1038/s41524-024-01202-z Peer Reviewed verified by ORBi |
Fava, M., Lafargue-Dit-Hauret, W., Romero, A., & Bousquet, E. (2024). Ferroelectricity and chirality in the Pb$_5$Ge$_3$O$_{11}$ crystal. Physical Review. B, Condensed Matter and Materials Physics. doi:10.1103/PhysRevB.109.024113 Peer Reviewed verified by ORBi |
Fava, M., Lafargue-Dit-Hauret, W., Romero, A., & Bousquet, E. (14 November 2023). Large and tunable spin-orbit effect of 6p orbitals through structural cavities in crystals. Physical Review. B, 108 (20), 201112. doi:10.1103/physrevb.108.l201112 Peer Reviewed verified by ORBi |
Garcia-Castro, A. C., Ma, Y., Romestan, Z., Bousquet, E., Cen, C., & Romero, A. (2022). Engineering of Ferroic Orders in Thin Films by Anionic Substitution. Advanced Functional Materials, 32 (2), 2107135. doi:10.1002/adfm.202107135 Peer Reviewed verified by ORBi |
Lang, L., Payne, A., Valencia-Jaime, I., Verstraete, M., Bautista-Hernández, A., & Romero, A. (2021). Assessing Nickel Titanium Binary Systems Using Structural Search Methods and Ab Initio Calculations. Journal of Physical Chemistry. C, Nanomaterials and interfaces, 125 (2), 1578-1591. doi:10.1021/acs.jpcc.0c10453 Peer Reviewed verified by ORBi |
Dovale-Farelo, V., Tavadze, P., Verstraete, M., Bautista-Hernández, A., & Romero, A. (2021). Exploring the elastic and electronic properties of chromium molybdenum diboride alloys. Journal of Alloys and Compounds, 866, 158885. doi:10.1016/j.jallcom.2021.158885 Peer Reviewed verified by ORBi |
Wingert, J., Singer, A., Patel, S. K. K., Kukreja, R., Verstraete, M., Romero, A., Uhlir, V., Festersen, S., Zhu, D., Glownia, J. M., Lemke, H. T., Nelson, S., Kozina, M., Rossnagel, K., Murphy, B. M., Magnussen, O. M., Fullerton, E. E., & Shpyrko, O. G. (2020). Direct time-domain determination of electron-phonon coupling strengths in chromium. Physical Review. B, Condensed Matter and Materials Physics, 102, 041101. doi:10.1103/PhysRevB.102.041101 Peer Reviewed verified by ORBi |
Gonze, X., Amadon, B., Antonius, G., Anardi, F., Baguet, L., Beuken, J.-M., Bieder, J., Bottin, F., Bouchet, J., Bousquet, E., Brouwer, N., Bruneval, F., Brunin, G., Cavignac, T., Charraud, J.-B., Chen, W., Côté, M., Cottenier, S., Denier, J., ... Zwanziger, J. W. (2020). The ABINIT project, impact, environment and recent developments. Computer Physics Communications, 248, 107042. doi:10.1016/j.cpc.2019.107042 Peer Reviewed verified by ORBi |
Romero, A., Allan, D. C., Amadon, B., Antonius, G., Applencourt, T., Baguet, L., Bieder, J., Bottin, F., Bouchet, J., Bousquet, E., Bruneval, F., Brunin, G., Caliste, D., Côté, M., Denier, J., Dreyer, C., Ghosez, P., Giantomassi, M., Gillet, Y., ... Gonze, X. (2020). ABINIT: Overview and focus on selected capabilities. Journal of Chemical Physics, 152 (12), 124102. doi:10.1063/1.5144261 Peer Reviewed verified by ORBi |
Herath, U., Tavadze, P., He, X., Bousquet, E., Singh, S., Muñoz, F., & Romero, A. (2020). PyProcar: A Python library for electronic structure pre/post-processing. Computer Physics Communications, 251, 107080. doi:10.1016/j.cpc.2019.107080 Peer Reviewed verified by ORBi |
Singh, S., Zanolli, Z., Amsler, M., Belhadji, B., Sofo, J. O., Verstraete, M., & Romero, A. (2019). Low-Energy Phases of Bi Monolayer Predicted by Structure Search in Two Dimensions. Journal of Physical Chemistry Letters, 10 (23), 7324-7332. doi:10.1021/acs.jpclett.9b03043 Peer Reviewed verified by ORBi |
Minelli, A., Souliou, S. M., Nguyen-Thanh, T., Romero, A., Serrano, J., Hernandez, W. I., Verstraete, M., Dmitriev, V., & Bosak, A. (2019). Lattice dynamics and phase stability of rhombohedral antimony under high pressure. Physical Review. B, 100 (10), 104305. doi:10.1103/PhysRevB.100.104305 Peer Reviewed verified by ORBi |
García Castro, A. C., Ibarra Hernández, W., Bousquet, E., & Romero, A. (September 2018). Direct magnetization-polarization coupling in BaCuF4. Physical Review Letters, 121, 117601. doi:10.1103/PhysRevLett.121.117601 Peer Reviewed verified by ORBi |
Payne, A., Avendaño-Franco, G., Bousquet, E., & Romero, A. (02 July 2018). Firefly Algorithm Applied to Noncollinear Magnetic Phase Materials Prediction. Journal of Chemical Theory and Computation, 14, 4455. doi:10.1021/acs.jctc.8b00404 Peer Reviewed verified by ORBi |
Romero, A., & Verstraete, M. (2018). From one to three, exploring the rungs of Jacob’s ladder in magnetic alloys. European Physical Journal B -- Condensed Matter, 91 (8). doi:10.1140/epjb/e2018-90275-5 Peer Reviewed verified by ORBi |
Di Gennaro, M., Miranda, A. L., Ostler, T., Romero, A., & Verstraete, M. (2018). Competition of lattice and spin excitations in the temperature dependence of spin-wave properties. Physical Review. B, Condensed Matter, 97, 214417. doi:10.1103/PhysRevB.97.214417 Peer Reviewed verified by ORBi |