Research output

  1. 2011
  2. Published

    Influence of Zr on structure, mechanical and thermal properties of Ti-Al-N

    Chen, L., Holec, D., Du, Y. & Mayrhofer, P. H., 2011, In: Thin solid films. 519, p. 5503-5510

    Research output: Contribution to journalArticleResearchpeer-review

  3. Published

    Modelling of electron energy near edge structures of alloys -How well can we do?

    Holec, D., Rachbauer, R., Kiener, D., Cherns, P. D., Costa, P. M. F. J., Mayrhofer, P. H. & Humphreys, C. J., 2011,

    Proceedings of International Conference on Electron Nanoscopy & XXXII Annual Meeting of EMSI

    .
    p. 129-130

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  4. Published

    Phase stability and alloy-related trends in Ti-Al-N, Zr-Al-N and Hf-Al-N systems from first principles

    Holec, D., Rachbauer, R., Chen, L., Wang, L., Luef, D. & Mayrhofer, P. H., 2011, In: Surface & coatings technology. 206, p. 1698-1704

    Research output: Contribution to journalArticleResearchpeer-review

  5. Published
  6. Published

    Strain-induced effects on the electronic structure and n K-edge ELNES of wurtzite AlN and AlxGa1-xN

    Petrov, M., Holec, D., Lymperakis, L., Neugebauer, J. & Humphreys, C. J., 2011, Proceeding of International Conference on Microscopy of Semiconducting Materials 2011. p. 1-4

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

  7. Published

    Structure, surface energy and stability of carbon fullerenes

    Holec, D., Hartmann, M., Paris, O. & Mayrhofer, P. H., 2011.

    Research output: Contribution to conferencePosterResearchpeer-review

  8. Published

    Towards predictive modeling of near-edge structures in electron energy-loss spectra of AlN-based ternary alloys

    Holec, D., Rachbauer, R., Kiener, D., Cherns, P. D., Costa, P. M. F. J., McAleese, C., Mayrhofer, P. H. & Humphreys, C. J., 2011, In: Physical review : B, Condensed matter and materials physics. 83, p. 165122-1-165122-10

    Research output: Contribution to journalArticleResearchpeer-review

  9. Published

    Towards reliable modelling of ELNES of AlxGa1-xN and other AlN based ternary alloys

    Holec, D., Rachbauer, R., Kiener, D., Cherns, P. D., Costa, P. M. F. J., Mayrhofer, P. H. & Humphreys, C. J., 2011.

    Research output: Contribution to conferencePosterResearchpeer-review

  10. 2010
  11. Published

    Curvature-induced excess surface energy of fullerenes: Density functional theory and Monte Carlo simulations

    Holec, D., Hartmann, M. A., Fischer, F. D., Rammerstorfer, F. G., Mayrhofer, P. H. & Paris, O., 2 Jun 2010, In: Physical review : B, Condensed matter and materials physics. 81, 23, p. 2354031-23540310

    Research output: Contribution to journalArticleResearchpeer-review

  12. Published

    Combined structure-factor phase measurement and theoretical calculations for mapping of chemical bonds in GaN

    Jiang, B., Zuo, J. M., Holec, D., Humphreys, C. J., Spackman, M. & Spence, C. H., 2010, In: Acta crystallographica / A (Section A, Foundations of crystallography). p. 446-450

    Research output: Contribution to journalArticleResearchpeer-review