Department Materials Science
Organisational unit: Departments and Institutes
Research output
- 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
- 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 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
- 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 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 discovery of novel hydride phases in NiTi shape memory alloys
Paulik, A., 2023Research output: Thesis › Master's Thesis
- Published
Ab-initio Calculations of Screw Dislocations in Tungsten and Tungsten-Rhenium Alloys
Romaner, L., 2008.Research output: Contribution to conference › Poster › Research › peer-review
- Published
Ab-initio calculations of Raman efficiencies
Ambrosch-Draxl, C., Sherman, E. Y. & Knoll, P., 2000, Proc. of the 17th Int. Conference on Raman Spectroscopy. p. 128-128Research output: Chapter in Book/Report/Conference proceeding › Conference contribution
- Published
Ab initio calculations of alloying impact on structural properties and stability of cementite
Sakic, A., 2020Research output: Thesis › Master's Thesis
- Published
Ab-initio calculation of fundamental and overtrone Raman-spectra Proceedings of the XIV.International Conference of Raman Spectroscopy
Ambrosch-Draxl, C., Knoll, P., Abt, R., Mayer, M. & Holzinger-Schweiger, E., 1994, Proceedings of the Fourteenth International Conference on Raman Spectroscopy : 22 - 26 August 1994, Hong Kong ; [ICORS Hong Kong ’94 ; silver jubilee] . Chichester, Vol. Erg.-Bd.. p. 95-96Research output: Chapter in Book/Report/Conference proceeding › Conference contribution
