Polarons in materials C Franchini, M Reticcioli, M Setvin, U Diebold Nature Reviews Materials 6 (7), 560-586, 2021 | 400 | 2021 |
Spin fluctuation induced Weyl semimetal state in the paramagnetic phase of EuCd2As2 JZ Ma, SM Nie, CJ Yi, J Jandke, T Shang, MY Yao, M Naamneh, LQ Yan, ... Science advances 5 (7), eaaw4718, 2019 | 144 | 2019 |
Polarity compensation mechanisms on the perovskite surface KTaO3 (001) M Setvin, M Reticcioli, F Poelzleitner, J Hulva, M Schmid, LA Boatner, ... Science 359 (6375), 572-575, 2018 | 116 | 2018 |
Interplay between Adsorbates and Polarons: CO on Rutile M Reticcioli, I Sokolović, M Schmid, U Diebold, M Setvin, C Franchini Physical Review Letters 122 (1), 016805, 2019 | 90 | 2019 |
Formation and dynamics of small polarons on the rutile (110) surface M Reticcioli, M Setvin, M Schmid, U Diebold, C Franchini Physical Review B 98 (4), 045306, 2018 | 87 | 2018 |
Polaron-driven surface reconstructions M Reticcioli, M Setvin, X Hao, P Flauger, G Kresse, M Schmid, U Diebold, ... Physical Review X 7 (3), 031053, 2017 | 67 | 2017 |
Resolving the adsorption of molecular O2 on the rutile TiO2 (110) surface by noncontact atomic force microscopy I Sokolović, M Reticcioli, M Čalkovský, M Wagner, M Schmid, C Franchini, ... Proceedings of the National Academy of Sciences 117 (26), 14827-14837, 2020 | 53 | 2020 |
Small polarons in transition metal oxides M Reticcioli, U Diebold, G Kresse, C Franchini Handbook of Materials Modeling: Applications: Current and Emerging Materials …, 2020 | 48 | 2020 |
Electron and hole doping in the relativistic Mott insulator : A first-principles study using band unfolding technique P Liu, M Reticcioli, B Kim, A Continenza, G Kresse, DD Sarma, XQ Chen, ... Physical Review B 94 (19), 195145, 2016 | 33 | 2016 |
Anderson transition in stoichiometric Fe2VAl: high thermoelectric performance from impurity bands F Garmroudi, M Parzer, A Riss, AV Ruban, S Khmelevskyi, M Reticcioli, ... Nature Communications 13 (1), 3599, 2022 | 28 | 2022 |
Handbook of Materials Modeling M Reticcioli, U Diebold, G Kresse, C Franchini Handbook of Materials Modeling(Springer International Publishing, Cham, 2020 …, 2020 | 26 | 2020 |
Electronic state unfolding for plane waves: Energy bands, Fermi surfaces, and spectral functions D Dirnberger, G Kresse, C Franchini, M Reticcioli The Journal of Physical Chemistry C 125 (23), 12921-12928, 2021 | 17 | 2021 |
Large thermoelectric power factors by opening the band gap in semimetallic Heusler alloys F Garmroudi, M Parzer, A Riss, S Beyer, S Khmelevskyi, T Mori, ... Materials Today Physics 27, 100742, 2022 | 14 | 2022 |
Ru doping in iron-based pnictides: The “unfolded” dominant role of structural effects for superconductivity M Reticcioli, G Profeta, C Franchini, A Continenza Phys. Rev. B 95 (214510), https://doi.org/10.1103/PhysRevB.95.2145, 2017 | 14 | 2017 |
Modeling polarons in density functional theory: lessons learned from TiO2 M Reticcioli, U Diebold, C Franchini Journal of Physics: Condensed Matter 34 (20), 204006, 2022 | 12 | 2022 |
CuAu, a hexagonal two-dimensional metal G Zagler, M Reticcioli, C Mangler, D Scheinecker, C Franchini, ... 2D Materials 7 (4), 045017, 2020 | 12 | 2020 |
Doping-induced insulator-metal transition in the Lifshitz magnetic insulator NaOsO3 S Dobrovits, B Kim, M Reticcioli, A Toschi, S Khmelevskyi, C Franchini Journal of Physics: Condensed Matter 31 (24), 244002, 2019 | 12 | 2019 |
Competing electronic states emerging on polar surfaces M Reticcioli, Z Wang, M Schmid, D Wrana, LA Boatner, U Diebold, ... Nature Communications 13 (1), 4311, 2022 | 10 | 2022 |
Machine learning for exploring small polaron configurational space VC Birschitzky, F Ellinger, U Diebold, M Reticcioli, C Franchini npj Computational Materials 8 (1), 125, 2022 | 10 | 2022 |
Effective band structure of Ru-doped BaFe2As2 M Reticcioli, G Profeta, C Franchini, A Continenza Journal of Physics: Conference Series 689 (1), 012027, 2016 | 7 | 2016 |