Research output

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2017
Published
Vacancy-driven extended stability of cubic metastable Ta-Al-N and Nb-Al-N phases
Pacher, F., Mayrhofer, P. H. & Holec, D., 2017, In: Surface & coatings technology. 326.2017, 15 October, Part A, p. 37-44 8 p.
Research output: Contribution to journal › Article › Research › peer-review
2016
Published
Atomistic pieces of the Materials Design jigsaw puzzle: From Schrödinger equation to thermal expansion
Holec, D., 1 Nov 2016.
Research output: Contribution to conference › Presentation › Research
Published
Application of first principles methods in developments of novel intermetallic alloys
Holec, D., 29 Aug 2016.
Research output: Contribution to conference › Presentation › Research
Published
Influence of varying nitrogen partial pressures on microstructure, mechanical and optical properties of sputtered TiAlON coatings
Schalk, N., Simonet Fotso, J., Holec, D., Fian, A., Jakopic, G., Terziyska, V., Daniel, R. & Mitterer, C., 27 Apr 2016.
Research output: Contribution to conference › Presentation › Research
Published
Size-dependent surface energies of Au nanoparticles
Holec, D., Dumitraschkewitz, P., Fischer, F. D. & Vollath, D., 11 Apr 2016, p. 1-13. 13 p.
Research output: Contribution to conference › Presentation › Research
Published
Accurate prediction of band gaps and optical properties of HfO2
Ondracka, P., Holec, D., Necas, D. & Zajickkova, L., 2016, In: Journal of physics / D, Applied physics. 49, p. 395301-1 - 395301-8 8 p.
Research output: Contribution to journal › Article › Research
Published
Anisotropic elastic properties and mechanical stability of S5(210) grain-boundary complexions in Ni3Al from ab initio calculations
Friak, M., Vsianska, M., Holec, D. & Sob, M., 2016.
Research output: Contribution to conference › Presentation › Research
Published
Combined experimental and theoretical study of facet-controlled phase separation in supersaturated Au-Ni nanoparticles upon shape equilibration
Herz, A., Friak, M., Rossberg, D., Hentschel, M., Theska, F., Wang, D., Holec, D., Sob, M., Schneeweiss, O. & Schaaf, P., 2016.
Research output: Contribution to conference › Presentation › Research
Published
Compositional trends in grain-boundary elasticity from ab initio calculations: case study of Σ5(210) Ni3(Al,Si)
Friak, M., Vsianska, M., Holec, D., Zeleny, M. & Sob, M., 2016.
Research output: Contribution to conference › Poster › Research
Published
Controlling microstructure, preferred orientation, and mechanical properties of Cr-Al-N by bombardment and alloying with Ta
Hollerweger, R., Zhou, L., Holec, D., Koller, C., Rachbauer, R., Polcik, P. & Mayrhofer, P. H., 2016, In: Journal of applied physics. 119, p. 1-8 8 p., 119.
Research output: Contribution to journal › Article › Research

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Research Portal

Research output

Vacancy-driven extended stability of cubic metastable Ta-Al-N and Nb-Al-N phases

Atomistic pieces of the Materials Design jigsaw puzzle: From Schrödinger equation to thermal expansion

Application of first principles methods in developments of novel intermetallic alloys

Influence of varying nitrogen partial pressures on microstructure, mechanical and optical properties of sputtered TiAlON coatings

Size-dependent surface energies of Au nanoparticles

Accurate prediction of band gaps and optical properties of HfO2

Anisotropic elastic properties and mechanical stability of S5(210) grain-boundary complexions in Ni3Al from ab initio calculations

Combined experimental and theoretical study of facet-controlled phase separation in supersaturated Au-Ni nanoparticles upon shape equilibration

Compositional trends in grain-boundary elasticity from ab initio calculations: case study of Σ5(210) Ni3(Al,Si)

Controlling microstructure, preferred orientation, and mechanical properties of Cr-Al-N by bombardment and alloying with Ta

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