Department Materials Science

Organisational unit: Departments and Institutes

Research output

  1. Published

    Ab inito calculations of electron energy loss near edge structure of ternary alloys

    Holec, D., Mayrhofer, P. H. & Humphreys, C. J., 2009.

    Research output: Contribution to conferencePosterResearchpeer-review

  2. Published

    Ab-initio study on the inter-molecular interactions in polythiophene

    Puschnig, P. & Ambrosch-Draxl, C., 2001, In: Synthetic Metals. 119, p. 245-246

    Research output: Contribution to journalArticleResearchpeer-review

  3. Published

    Ab-initio study on the exciton binding energies in organic semiconductors

    Hummer, K., Ambrosch-Draxl, C., Puschnig, P. & Sagmeister, S., 2006, In: Modern physics letters / B. 20, p. 261-280

    Research output: Contribution to journalArticleResearchpeer-review

  4. Published

    Ab initio study on stacking faults in gamma-TiAl

    Dumitraschkewitz, P., Clemens, H., Mayer, S. & Holec, D., 2 Oct 2015.

    Research output: Contribution to conferencePosterResearch

  5. Published

    Ab initio study of the vacancy ordering in YBa2Cu307-x

    Korzhavyi, P. A., Draxl, C. & Johansson, B., 1999, In: Journal of low temperature physics. 117, p. 395-400

    Research output: Contribution to journalArticleResearchpeer-review

  6. Published

    Ab initio study of the alloying effect of transition metals on structure, stability and ductility of CrN

    Zhou, L., Holec, D. & Mayrhofer, P. H., 2013, In: Journal of physics / D, Applied physics. 46, p. 3653011-3653017

    Research output: Contribution to journalArticleResearchpeer-review

  7. Published

    Ab initio study of pressure stabilized NiTi allotropes: Pressure-induced transformations and hysteresis loops

    Holec, D., Friak, M., Dlouhy, A. & Neugebauer, J., 2011, In: Physical review : B, Condensed matter and materials physics. 84, p. 224119-1-224119-8

    Research output: Contribution to journalArticleResearchpeer-review

  8. Published

    Ab initio study of point defects in NiTi-based alloys

    Holec, D., Friák, M., Dlouhý, A. & Neugebauer, J., 2014, In: Physical review : B, Condensed matter and materials physics. 89, p. 0141101-0141106

    Research output: Contribution to journalArticleResearchpeer-review

  9. Published

    Ab initio study of oxygen vacancy filament formation at Ta/HfO2 interface

    Zhang, D., Wang, J., Wu, Q., Du, Y. & Holec, D., Jun 2024, In: Surfaces and Interfaces. 49.2024, June, 11 p., 104418.

    Research output: Contribution to journalArticleResearchpeer-review

  10. Published