Department Materials Science

Organisational unit: Departments and Institutes

Research output

  1. Published

    Ab-initio study of excitons in GaN

    Laskowski, R., Christensen, N. E., Santi, G. & Draxl, C., 2005, In: Physical review : B, Condensed matter and materials physics. 72, p. 035204-1-035204-8

    Research output: Contribution to journalArticleResearchpeer-review

  2. Published

    Ab-initio study of excitonic effects in conventional and organic semiconductors

    Hummer, K., Draxl, C., Bussi, G., Ruini, A., Caldas, M. J., Molinari, E., Laskowski, R. & Christensen, N. E., 2005, In: Physica status solidi / B. 242, p. 1754-1754

    Research output: Contribution to journalArticleResearchpeer-review

  3. Published

    Ab initio study of chemical disorder as an effective stabilizing mechanism of bcc-based TiAl(+Mo)

    Abdoshahi, N., Spörk-Erdely, P., Friák, M., Mayer, S., Šob, M. & Holec, D., 2 Oct 2020, In: Physical review materials . 24.020, 10, 14 p., 103604.

    Research output: Contribution to journalArticleResearchpeer-review

  4. Published

    Ab-initio study of anthracene under high pressure

    Hummer, K., Puschnig, P. & Draxl, C., 2003, In: Physical review : B, Condensed matter and materials physics. 67, p. 184105-1-184105-7

    Research output: Contribution to journalArticleResearchpeer-review

  5. Published

    Ab initio study of alloying Impact on the stability of cementite in transformation-Induced plasticity-assisted advanced steels

    Sakic, A., Hofer, C., Schnitzer, R. & Holec, D., 18 Sept 2022, In: Advanced engineering materials. 24.2022, 11, 10 p., 2200532.

    Research output: Contribution to journalArticleResearchpeer-review

  6. Published

    Ab initio studies on the adsorption and implantation of Al and Fe to nitride materials

    Riedl, H., Zalesak, J., Arndt, M., Polcik, P., Holec, D. & Mayrhofer, P. H., 25 Sept 2015, In: Journal of applied physics. 118.2015, 12, p. 125306 8 p.

    Research output: Contribution to journalArticleResearchpeer-review

  7. Published

    Ab initio studies on the adsorption and adhesive transfer of Al and Fe to nitride coatings materials

    Riedl, H., Zalesak, J., Sobiech, M., Polcik, P., Holec, D. & Mayrhofer, P. H., 2014.

    Research output: Contribution to conferencePosterResearchpeer-review

  8. Published

    Ab initio molecular dynamics model for density, elastic properties and short range order of Co–Fe–Ta–B metallic glass thin films

    Hostert, C., Music, D., Bednarcik, J., Keckes, J., Kapaklis, V., Hjövarsson, B. & Schneider, J. M., 2011, In: European physical journal B, Condensed matter physics : EPJ B. p. 4754011-4754017

    Research output: Contribution to journalArticleResearchpeer-review

  9. Published

    Ab initio investigation of the atomic volume, thermal expansion, and formation energy of WTi solid solutions

    Bodlos, R., Dengg, T., Ruban, A. V., Dehghani, M., Romaner, L. & Spitaler, J., Apr 2021, In: Physical review materials . 5, 4, p. 1-10 043601.

    Research output: Contribution to journalArticleResearchpeer-review

  10. Published

    Ab-initio investiation of the interface structure of TiO2 grown on Al2O3

    Popov, M., Spitaler, J., Walter, C. & Draxl, C., 2010.

    Research output: Contribution to conferencePosterResearchpeer-review