Department Materials Science
Organisational unit: Departments and Institutes
Research output
- Published
Ab initio discovery of novel hydride phases in NiTi shape memory alloys
Paulik, A., 2023Research output: Thesis › Master's Thesis
- Published
Ab initio evaluation of the potential use of Sc-based III-nitrides in optoelectronics
Holec, D., Zhang, S., Fu, W. Y., Humphreys, C. J., Mayrhofer, P. H. & Moram, M. A., 2014.Research output: Contribution to conference › Poster › Research › peer-review
- Published
Ab initio framework for deciphering trade-off relationships in multicomponent alloys
Moitzi, F., Romaner, L., Ruban, A. V., Hodapp, M. & Peil, O. E., 16 Jul 2024, In: npj computational materials. 2024, 10, 16 p., 152.Research output: Contribution to journal › Article › Research › peer-review
- Published
Ab-initio grain boundary thermodynamics beyond the dilute limit
Spitaler, T., Scheiber, D., Dösinger, C. A., Hodapp, M. & Romaner, L., 14 Jan 2025, In: Acta materialia. 286.2025, 1 March, 13 p., 120725.Research output: Contribution to journal › Article › Research › peer-review
- E-pub ahead of print
Ab initio -guided X-ray photoelectron spectroscopy quantification of Ti vacancies in Ti1−δOxN1−x thin films
Ondračka, P., Hans, M., Holzapfel, D. M., Primetzhofer, D., Holec, D. & Schneider, J. M., 24 Feb 2022, (E-pub ahead of print) In: Acta materialia. 230.2022, 15 May, 7 p., 117778.Research output: Contribution to journal › Article › Research › peer-review
- Published
Ab initio inspired design of ternary boride thin films
Moraes, V., Riedl, H., Fuger, C., Polcik, P., Bolvardi, H., Holec, D. & Mayrhofer, P. H., 18 Jun 2018, In: Scientific reports (London : Nature Publishing Group). 8.2018, p. 1-9 9 p., 9288.Research output: Contribution to journal › Article › Research › peer-review
- 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 conference › Poster › Research › peer-review
- 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 journal › Article › Research › peer-review
- 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. 4754011-4754017Research output: Contribution to journal › Article › Research › peer-review
- 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 conference › Poster › Research › peer-review
