| Lithium niobate -cut, -cut, and -cut surfaces from ab initio theory S Sanna, WG Schmidt Physical Review B—Condensed Matter and Materials Physics 81 (21), 214116, 2010 | 163 | 2010 |
| Optically excited structural transition in atomic wires on surfaces at the quantum limit T Frigge, B Hafke, T Witte, B Krenzer, C Streubühr, AS Syed, VM Trontl, ... Nature 544 (7649), 207-211, 2017 | 146 | 2017 |
| Do we know the band gap of lithium niobate? C Thierfelder, S Sanna, A Schindlmayr, WG Schmidt physica status solidi c 7 (2), 362-365, 2010 | 137 | 2010 |
| Raman scattering efficiency in and crystals S Sanna, S Neufeld, M Rüsing, G Berth, A Zrenner, WG Schmidt Physical Review B 91 (22), 224302, 2015 | 135 | 2015 |
| Barium titanate ground-and excited-state properties from first-principles calculations S Sanna, C Thierfelder, S Wippermann, TP Sinha, WG Schmidt Physical Review B—Condensed Matter and Materials Physics 83 (5), 054112, 2011 | 131 | 2011 |
| LiNbO3 surfaces from a microscopic perspective S Sanna, WG Schmidt Journal of Physics: Condensed Matter 29 (41), 413001, 2017 | 129 | 2017 |
| Incoherent Electron− Phonon Scattering in Octanethiols A Pecchia, A Di Carlo, A Gagliardi, S Sanna, T Frauenheim, R Gutierrez Nano letters 4 (11), 2109-2114, 2004 | 129 | 2004 |
| Atomistic picture of charge density wave formation at surfaces S Wall, B Krenzer, S Wippermann, S Sanna, F Klasing, ... Physical review letters 109 (18), 186101, 2012 | 98 | 2012 |
| Rare-earth defect pairs in GaN: calculations S Sanna, WG Schmidt, T Frauenheim, U Gerstmann Physical Review B—Condensed Matter and Materials Physics 80 (10), 104120, 2009 | 94 | 2009 |
| Density-functional based tight-binding study of small gold clusters P Koskinen, H Häkkinen, G Seifert, S Sanna, T Frauenheim, M Moseler New Journal of Physics 8 (1), 9, 2006 | 89 | 2006 |
| Self-interaction and strong correlation in DFTB B Hourahine, S Sanna, B Aradi, C Köhler, T Niehaus, T Frauenheim The Journal of Physical Chemistry A 111 (26), 5671-5677, 2007 | 76 | 2007 |
| Defect complexes in congruent and their optical signatures Y Li, WG Schmidt, S Sanna Physical Review B 91 (17), 174106, 2015 | 61 | 2015 |
| Temperature Driven Phase Transition at the Antimonene/Bi2Se3 van der Waals Heterostructure C Hogan, K Holtgrewe, F Ronci, S Colonna, S Sanna, P Moras, ... ACS nano 13 (9), 10481-10489, 2019 | 60 | 2019 |
| electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects A Riefer, M Friedrich, S Sanna, U Gerstmann, A Schindlmayr, WG Schmidt Physical Review B 93 (7), 075205, 2016 | 54 | 2016 |
| Optical response of stoichiometric and congruent lithium niobate from first-principles calculations A Riefer, S Sanna, A Schindlmayr, WG Schmidt Physical Review B—Condensed Matter and Materials Physics 87 (19), 195208, 2013 | 53 | 2013 |
| Intrinsic point defects from hybrid density functional calculations Y Li, WG Schmidt, S Sanna Physical Review B 89 (9), 094111, 2014 | 51 | 2014 |
| Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory M Friedrich, A Riefer, S Sanna, WG Schmidt, A Schindlmayr Journal of Physics: Condensed Matter 27 (38), 385402, 2015 | 50 | 2015 |
| Polaronic deformation at the impurity site in crystals A Sanson, A Zaltron, N Argiolas, C Sada, M Bazzan, WG Schmidt, ... Physical Review B 91 (9), 094109, 2015 | 48 | 2015 |
| Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model Y Li, S Sanna, WG Schmidt The Journal of Chemical Physics 140 (23), 2014 | 42 | 2014 |
| Formation of hydroxyl groups at calcium-silicate-hydrate (CSH): Coexistence of Ca–OH and Si–OH on wollastonite (001) S Sanna, WG Schmidt, P Thissen The Journal of Physical Chemistry C 118 (15), 8007-8013, 2014 | 41 | 2014 |
