| The electronic structure and optical response of rutile, anatase and brookite TiO2 M Landmann, E Rauls, WG Schmidt Journal of physics: condensed matter 24 (19), 195503, 2012 | 1039 | 2012 |
| Fingerprints of order and disorder in the electronic and optical properties of crystalline and amorphous TiO M Landmann, T Köhler, S Köppen, E Rauls, T Frauenheim, WG Schmidt Physical Review B 86 (6), 064201, 2012 | 90 | 2012 |
| Band offsets in cubic GaN/AlN superlattices C Mietze, M Landmann, E Rauls, H Machhadani, S Sakr, M Tchernycheva, ... Physical Review B 83 (19), 195301, 2011 | 76 | 2011 |
| GaN -plane: Atomic structure, surface bands, and optical response M Landmann, E Rauls, WG Schmidt, MD Neumann, E Speiser, N Esser Physical Review B 91 (3), 035302, 2015 | 64 | 2015 |
| Transition energies and direct-indirect band gap crossing in zinc-blende AlGaN M Landmann, E Rauls, WG Schmidt, M Röppischer, C Cobet, N Esser, ... Physical Review B 87 (19), 195210, 2013 | 53 | 2013 |
| Identification of the Nitrogen Split Interstitial in GaN HJ Von Bardeleben, JL Cantin, U Gerstmann, A Scholle, ... Physical review letters 109 (20), 206402, 2012 | 51 | 2012 |
| First-principles calculations of clean Au (110) surfaces and chemisorption of atomic oxygen M Landmann, E Rauls, WG Schmidt Physical Review B 79 (4), 045412, 2009 | 39 | 2009 |
| Computational approach for structure design and prediction of optical properties in amorphous TiO2 thin-film coatings T Köhler, M Turowski, H Ehlers, M Landmann, D Ristau, T Frauenheim Journal of Physics D: Applied Physics 46 (32), 325302, 2013 | 35 | 2013 |
| Consistent atomic geometries and electronic structure of five phases of potassium niobate from density-functional theory F Schmidt, M Landmann, E Rauls, N Argiolas, S Sanna, WG Schmidt, ... Advances in Materials Science and Engineering 2017, 2017 | 27 | 2017 |
| Understanding band alignments in semiconductor heterostructures: composition dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blende Al x Ga 1 … M Landmann, E Rauls, WG Schmidt Physical Review B 95 (15), 155310, 2017 | 25 | 2017 |
| Chainlike Au−O Structures on Au(110)-(1 × r) Surfaces Calculated from First Principles M Landmann, E Rauls, WG Schmidt The Journal of Physical Chemistry C 113 (14), 5690-5699, 2009 | 17 | 2009 |
| The atomic structure of ternary amorphous TixSi1− xO2 hybrid oxides M Landmann, T Köhler, E Rauls, T Frauenheim, WG Schmidt Journal of Physics: Condensed Matter 26 (25), 253201, 2014 | 12 | 2014 |
| Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations A Riefer, M Rohrmüller, M Landmann, S Sanna, E Rauls, NJ Vollmers, ... High Performance Computing in Science and Engineering ‘13: Transactions of …, 2013 | 4 | 2013 |
| Research Article Consistent Atomic Geometries and Electronic Structure of Five Phases of Potassium Niobate from Density-Functional Theory F Schmidt, M Landmann, E Rauls, N Argiolas, S Sanna, WG Schmidt, ... | 1 | 2017 |
| Surface Charge of Clean LiNbO3 Z-Cut Surfaces S Sanna, U Gerstmann, E Rauls, Y Li, M Landmann, A Riefer, ... High Performance Computing in Science and Engineering ‘14: Transactions of …, 2015 | 1 | 2015 |
| Surface Magnetism: Relativistic Effects at Semiconductor Interfaces and Solar Cells U Gerstmann, M Rohrmüller, NJ Vollmers, A Konopka, S Greulich-Weber, ... High Performance Computing in Science and Engineering ‘12: Transactions of …, 2013 | 1 | 2013 |
| Photo-Excited Surface Dynamics from Massively Parallel Constrained-DFT Calculations A Lücke, T Biktagirov, A Riefer, M Landmann, M Rohrmüller, C Braun, ... High Performance Computing in Science and Engineering'17: Transactions of …, 2018 | | 2018 |
| Submonolayer Rare Earth Silicide Thin Films on the Si (111) Surface S Sanna, C Dues, U Gerstmann, E Rauls, D Nozaki, A Riefer, ... High Performance Computing in Science and Engineering´ 16: Transactions of …, 2016 | | 2016 |
| Solving the Scattering Problem for the P3HT On-Chain Charge Transport A Lücke, U Gerstmann, S Sanna, M Landmann, A Riefer, M Rohrmüller, ... High Performance Computing in Science and Engineering´ 15: Transactions of …, 2016 | | 2016 |
| Electronic and Optical Excitations of Aminopyrimidine Molecules from Many-Body Perturbation Theory A Riefer, M Rohrmüller, M Landmann, S Sanna, E Rauls, U Gerstmann, ... High Performance Computing in Science and Engineering ‘12: Transactions of …, 2013 | | 2013 |
