| Projector augmented wave method:ab initio molecular dynamics with full wave functions PE Blöchl, CJ Först, J Schimpl Bulletin of Materials Science 26, 33-41, 2003 | 568 | 2003 |
| The interface between silicon and a high-k oxide CJ Först, CR Ashman, K Schwarz, PE Blöchl Nature 427 (6969), 53-56, 2004 | 363 | 2004 |
| Point defect concentrations in metastable Fe-C alloys CJ Först, J Slycke, KJ Van Vliet, S Yip Physical review letters 96 (17), 175501, 2006 | 127 | 2006 |
| Many-body potential for point defect clusters in Fe-C alloys TT Lau, CJ Först, X Lin, JD Gale, S Yip, KJ Van Vliet Physical review letters 98 (21), 215501, 2007 | 124 | 2007 |
| Thermochemical and Mechanical Stabilities of the Oxide Scale of ZrB2+SiC and Oxygen Transport Mechanisms J Li, TJ Lenosky, CJ Först, S Yip Journal of the American Ceramic Society 91 (5), 1475-1480, 2008 | 101 | 2008 |
| First-principles calculations of strontium on Si (001) CR Ashman, CJ Först, K Schwarz, PE Blöchl Physical Review B 69 (7), 075309, 2004 | 90 | 2004 |
| A perspective on modeling materials in extreme environments: oxidation of ultrahigh-temperature ceramics A Bongiorno, CJ Först, RK Kalia, J Li, J Marschall, A Nakano, MM Opeka, ... MRS bulletin 31 (05), 410-418, 2006 | 84 | 2006 |
| Structural and Electronic Properties of the Interface between the High- Oxide and Si(001) CJ Först, K Schwarz, PE Blöchl Physical review letters 95 (13), 137602, 2005 | 73 | 2005 |
| Electronic structure methods: Augmented waves, pseudopotentials and the projector augmented wave method PE Blöchl, J Kästner, CJ Först Handbook of Materials Modeling: Methods, 93-119, 2005 | 41 | 2005 |
| Band alignment at the La2Hf2O7∕(001) Si interface G Seguini, S Spiga, E Bonera, M Fanciulli, A Reyes Huamantinco, ... Applied physics letters 88 (20), 2006 | 34 | 2006 |
| Chemistry of La on the Si (001) surface from first principles CR Ashman, CJ Först, K Schwarz, PE Blöchl Physical Review B 70 (15), 155330, 2004 | 28 | 2004 |
| Multiple self-localized electronic states in trans-polyacetylene X Lin, J Li, CJ Först, S Yip Proceedings of the National Academy of Sciences 103 (24), 8943-8946, 2006 | 27 | 2006 |
| Heteroepitaxial growth of high-k gate oxides on silicon: insights from first-principles calculations on Zr on Si (0 0 1) CJ Först, PE Blöchl, K Schwarz Computational materials science 27 (1-2), 70-74, 2003 | 20 | 2003 |
| Ab-initio simulations on growth and interface properties of epitaxial oxides on silicon CJ Först, CR Ashman, K Schwarz, PE Bloechl Microelectronic engineering 80, 402-407, 2005 | 6 | 2005 |
| Multiscale materials modelling: case studies at the atomistic and electronic structure levels E Silva, C Först, J Li, X Lin, T Zhu, S Yip ESAIM: Mathematical Modelling and Numerical Analysis 41 (2), 427-445, 2007 | 5 | 2007 |
| k. Schwarz and PE Blöchl CJ Först, CR Ashman Nature 427, 53, 2004 | 3 | 2004 |
| Modeling of Growth of High-κ Oxides on Semiconductors CJ Först, CA Ashman, K Schwarz, PE Blöchl Advanced Gate Stacks for High-Mobility Semiconductors, 165-179, 2007 | 1 | 2007 |
| Computational materials science: oxide-semiconductor interfaces and atomic fragments for the description of condensed matter C Först Technische Universität Wien, 2004 | 1 | 2004 |
| Node-less atomic wave functions, Pauli repulsion and systematic projector augmentation PE Blöchl, C Först arXiv preprint arXiv:1210.5937, 2012 | | 2012 |
| First-principles calculations of low coverage growth of Ba on Si (001) CR Ashman, CJ Foerst, PE Bloechl APS March Meeting Abstracts, J42. 007, 2007 | | 2007 |
Peter E. BlöchlProfessor for Theoretical Physics, Clausthal University of TechnologyVerified email at tu-clausthal.de
