Marina Rucsandra Filip

Tutorial Fellow in Physics; Associate Professor of Condensed Matter Physics

Research

Marina’s research centres on the characterization and design of novel materials for optoelectronics and energy applications using first principles computational modeling and high performance computing.

Her research employs methods across first principles materials modeling, including density functional theory, density functional perturbation theory and many-body perturbation theory with the goal to understand structural and vibrational properties, as well as electronic and optical excitations in complex functional materials.

Selected Publications

Book Chapters

(2018) Filip, M. R., Volonakis, G. and Giustino, F., Hybrid Halide Perovskites: Fundamental Theory and Materials Design, Chapter in Handbook of Materials Modeling, In: Andreoni W., Yip S. (eds) Handbook of Materials Modeling. Springer, Cham (2018);

Articles

(2018) Filip, M. R. and Giustino, F., The Geometric Blueprint of Perovskites, Proc. Natl. Acad. Sci., 2018, 201719179

(2018) Filip, M. R., Liu, X., Miglio, A., Hautier, G. and Giustino, F., Phase Diagrams and Stability of Lead-Free Halide Double Perovskites Cs2BB’X6, B = Sb, Bi, B’ = Cu, Ag, Au and X = Cl, Br, I, J. Phys. Chem. C 2018, 122(1), 158-170.

(2016) Filip, M. R., Hillman, S., Amir A. Haghighirad, Snaith, J. H. and Giustino, F., Band Gaps of the Lead-Free Halide Double Perovskites Cs2BiAgCl6 and Cs2BiAgBr6 from Theory and Experiment, J. Phys. Chem. Lett. 2016, 7 (13), 2579-2585.

(2016) Filip, M. R. and Giustino, F., Computational Screening of Homovalent Lead Substitution in Organic–Inorganic Halide Perovskites, J. Phys. Chem. C, 2016, 120 (1), 166-173.

(2015) Filip, M. R., Verdi, C. and Giustino, F., GW Band Structures and Carrier Effective Masses of CH3NH3PbI3 and Hypothetical Perovskites of the Type APbI3: A = NH4, PH4, AsH4, and SbH4, J. Phys. Chem. C 2015, 119 (45), 25209-25219.

(2014) Filip, M. R. and Giustino, F., GW quasiparticle band gap of the hybrid organic-inorganic perovskite CH3NH3PbI3: Effect of spin-orbit interaction, semicore electrons, and self-consistency, Phys. Rev. B 90 2014, 245145.

(2013) Filip, M. R., Patrick, C. E. and Giustino, F., GW quasiparticle band structures of stibnite, antimonselite, bismuthinite, and guanajuatite, Phys. Rev. B 87, 2013, 205125.

(2014) Filip, M. R., Eperon, G. E., Snaith, H. J. and Giustino, F., Steric engineering of metal-halide perovskites with tunable optical band gaps, Nat. Commun, 5, 2014, 5757.