| Ferromagnetism in Cu-doped ZnO from first-principles theory LM Huang, AL Rosa, R Ahuja Physical Review B—Condensed Matter and Materials Physics 74 (7), 075206, 2006 | 212 | 2006 |
| Structural, electronic, and effective-mass properties of silicon and zinc-blende group-III nitride semiconductor compounds LE Ramos, LK Teles, LMR Scolfaro, JLP Castineira, AL Rosa, JR Leite Physical Review B 63 (16), 165210, 2001 | 189 | 2001 |
| Resonant Electron Heating and Molecular Phonon Cooling in Single Junctions G Schulze, KJ Franke, A Gagliardi, G Romano, CS Lin, AL Rosa, ... Physical review letters 100 (13), 136801, 2008 | 182 | 2008 |
| Toward an accurate density-functional tight-binding description of zinc-containing compounds NH Moreira, G Dolgonos, B Aradi, AL da Rosa, T Frauenheim Journal of chemical theory and computation 5 (3), 605-614, 2009 | 143 | 2009 |
| First-principles calculations of the structural and electronic properties of clean surfaces AL Rosa, J Neugebauer Physical Review B—Condensed Matter and Materials Physics 73 (20), 205346, 2006 | 142 | 2006 |
| Structural and electronic properties of ZnO nanotubes from density functional calculations H Xu, RQ Zhang, X Zhang, AL Rosa, T Frauenheim Nanotechnology 18 (48), 485713, 2007 | 92 | 2007 |
| Adsorption and incorporation of silicon at GaN (0001) surfaces AL Rosa, J Neugebauer, JE Northrup, CD Lee, RM Feenstra Applied physics letters 80 (11), 2008-2010, 2002 | 83 | 2002 |
| First-principles calculations of reconstructed [0001] ZnO nanowires W Fan, H Xu, AL Rosa, T Frauenheim, RQ Zhang Physical Review B—Condensed Matter and Materials Physics 76 (7), 073302, 2007 | 76 | 2007 |
| Intense Intrashell Luminescence of Eu-Doped Single ZnO Nanowires at Room Temperature by Implantation Created Eu–Oi Complexes S Geburt, M Lorke, AL da Rosa, T Frauenheim, R Röder, T Voss, ... Nano Letters 14 (8), 4523-4528, 2014 | 74 | 2014 |
| Hydrogen and oxygen adsorption on ZnO nanowires: A first-principles study H Xu, W Fan, AL Rosa, RQ Zhang, T Frauenheim Physical Review B—Condensed Matter and Materials Physics 79 (7), 073402, 2009 | 71 | 2009 |
| Density-functional theory calculations of bare and passivated triangular-shaped ZnO nanowires H Xu, AL Rosa, T Frauenheim, RQ Zhang, ST Lee Applied Physics Letters 91 (3), 2007 | 66 | 2007 |
| Covalent functionalization of ZnO surfaces: a density functional tight binding study NH Moreira, AL da Rosa, T Frauenheim Applied Physics Letters 94 (19), 2009 | 63 | 2009 |
| Understanding Si adsorption on GaN (0001) surfaces using first-principles calculations AL Rosa, J Neugebauer Physical Review B—Condensed Matter and Materials Physics 73 (20), 205314, 2006 | 62 | 2006 |
| Self-consistent-charge density-functional tight-binding parameters for Cd–X (X= S, Se, Te) compounds and their interaction with H, O, C, and N S Sarkar, S Pal, P Sarkar, AL Rosa, T Frauenheim Journal of Chemical Theory and Computation 7 (7), 2262-2276, 2011 | 55 | 2011 |
| Weak ferromagnetism in Cu-doped GaN AL Rosa, R Ahuja Applied Physics Letters 91 (23), 2007 | 49 | 2007 |
| Theoretical exploration of the structural, electronic, and magnetic properties of ZnO nanotubes with vacancies, antisites, and nitrogen substitutional defects DQ Fang, AL Rosa, RQ Zhang, T Frauenheim The Journal of Physical Chemistry C 114 (13), 5760-5766, 2010 | 48 | 2010 |
| Structural and magnetic analysis of epitaxial films of Gd-doped ZnO V Ney, S Ye, T Kammermeier, K Ollefs, F Wilhelm, A Rogalev, S Lebegue, ... Physical Review B—Condensed Matter and Materials Physics 85 (23), 235203, 2012 | 44 | 2012 |
| Transition metal and rare earth element doped zinc oxide nanowires for optoelectronics R Röder, S Geburt, M Zapf, D Franke, M Lorke, T Frauenheim, ... physica status solidi (b) 256 (4), 1800604, 2019 | 42 | 2019 |
| A complete set of self‐consistent charge density‐functional tight‐binding parametrization of zinc chalcogenides (ZnX; X= O, S, Se, and Te) S Saha, S Pal, P Sarkar, AL Rosa, T Frauenheim Journal of Computational Chemistry 33 (12), 1165-1178, 2012 | 42 | 2012 |
| Band gap engineering of GaN nanowires by surface functionalization DQ Fang, AL Rosa, T Frauenheim, RQ Zhang Applied Physics Letters 94 (7), 2009 | 42 | 2009 |
Thomas FrauenheimProfessor für Computational Materials ScienceVerified email at bccms.uni-bremen.de
