David Holec

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Research output

  1. 2014
  2. Published

    First principles study on the impact of chemical disorder and Mo alloying on stability of the cubic b/bo phase in TiAl

    Holec, D., Legut, D., Clemens, H. & Mayer, S., 2014.

    Research output: Contribution to conference › Presentation › Research › peer-review

  3. Published

    Impact of point defects on stability of (Al1-xCrx)2O3 phases from first principles

    Koller, C., Ramm, J., Polcik, P., Holec, D., Paulitsch, J. & Mayrhofer, P. H., 2014.

    Research output: Contribution to conference › Poster › Research › peer-review

  4. Published

    Macroscopic elastic properties of textured ZrN-AlN polycrystalline aggregates: From ab initio calculations to grain-scale interactions

    Holec, D., Tasnádi, F., Wagner, P., Friak, M., Neugebauer, J., Mayrhofer, P. H. & Keckes, J., 2014, In: Physical review : B, Condensed matter and materials physics. 90, p. 184106-1-184106-9

    Research output: Contribution to journal › Article › Research › peer-review

  5. Published

    On the behavior of yttria/yttrium during mechanical alloying of a Fe-Y2O3 model alloy system

    Ressel, G., Parz, P., Fian, A., Holec, D., Primig, S., Puff, W., Leitner, H. & Clemens, H., 2014, Advanced Materials Research. p. 598-603

    Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

  6. Published

    Optical properties of HfO2 analysed using first principles calculations

    Ondracka, P., Holec, D., Franta, D., Elias, M. & Zajickkova, L., 2014.

    Research output: Contribution to conference › Poster › Research › peer-review

  7. Published

    Protective transition metal nitride coatings

    Mayrhofer, P. H., Rachbauer, R., Holec, D., Rovere, F. & Schneider, J., 2014, Comprehensive Materials Proceedings. p. 355-388

    Research output: Chapter in Book/Report/Conference proceeding › Chapter › Research

  8. Published

    Structural and mechanical evolution of reactively and non-reactively sputterd Zr-Al-N thin films during annealing

    Mayrhofer, P. H., Sonnleitner, D., Bartosik, M. & Holec, D., 2014, In: Surface & coatings technology. 244, p. 52-56

    Research output: Contribution to journal › Article › Research › peer-review

  9. Published

    Structural stability and thermodynamics of CrN magnetic phases from ab initio calculations and experiment

    Zhou, L., Körmann, F., Holec, D., Bartosik, M., Grabowski, B., Neugebauer, J. & Mayrhofer, P. H., 2014, In: Physical review : B, Condensed matter and materials physics. 90, p. 184102-1-184102-12

    Research output: Contribution to journal › Article › Research › peer-review

  10. Published

    Structural stability and thermodynamics of CrN magnetic phases from first principles

    Holec, D., Zhou, L., Bartosik, M., Körmann, F., Grabowski, B., Neugebauer, J. & Mayrhofer, P. H., 2014.

    Research output: Contribution to conference › Poster › Research › peer-review

  11. Published

    Structure and mechanical properties of Ta alloyed Cr-Al-N coatings

    Hollerweger, R., Zhou, L., Holec, D., Rachbauer, R., Polcik, P. & Mayrhofer, P. H., 2014.

    Research output: Contribution to conference › Poster › Research › peer-review

  12. Published

    The effect of interlayer composition and thickness on the stabilization of cubic AlN in AlN/Ti-Al-N superlattices

    Chawla, V., Holec, D. & Mayrhofer, P., 2014, In: Thin solid films. 565, p. 94-100

    Research output: Contribution to journal › Article › Research › peer-review

  13. Published

    The origin of carbon nanotubes G-mode upshift under pressure: out -of-plane compression effects in in-plane bond strength

    Sun, Y. W., Holec, D. & Dunstan, D. J., 2014.

    Research output: Contribution to conference › Poster › Research › peer-review

  14. Published

    Thermal expansion and elasticity of metastable cubic B1-AlN

    Bartosik, M., Holec, D., Todt, M., Todt, J., Rammerstorfer, F. G. & Mayrhofer, P. H., 2014.

    Research output: Contribution to conference › Poster › Research › peer-review

  15. Published

    Thermal properties of Ti-Al alloys: A combined theoretical and experimental approach

    Holec, D., Schmölzer, T., Legut, D., Staron, P. & Clemens, H., 2014.

    Research output: Contribution to conference › Poster › Research › peer-review

  16. 2013
  17. 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 journal › Article › Research › peer-review

  18. Published

    Alloy-based design of materials from first principles: an application to functional hard coatings

    Holec, D., Zhou, L., Rachbauer, R. & Mayrhofer, P. H., 2013, Density Functional Theory. p. 259-284

    Research output: Chapter in Book/Report/Conference proceeding › Chapter › Research

  19. Published

    Alloying-related trends from first principles: An application to the Ti-Al-X-N system

    Holec, D., Zhou, L., Rachbauer, R. & Mayrhofer, P. H., 2013, In: Journal of applied physics. 113, p. 113510-1-113510-8

    Research output: Contribution to journal › Article › Research › peer-review

  20. Published

    Atomistic insights into milling mechanisms in an fe-Y2O3 model alloy

    Ressel, G., Holec, D., Fian, A., Mendez Martin, F. & Leitner, H., 2013, In: Applied physics / A (Series A, Materials science & processing).

    Research output: Contribution to journal › Article › Research › peer-review

  21. Published

    Bias- and temperature-dependent strain evolution across nanocrystalline TiAlN films studied by X-ray nanodiffraction

    Riedl, A., Todt, J., Daniel, R., Steffenelli, M., Holec, D., Krywka, C., Mitterer, C. & Keckes, J., 2013.

    Research output: Contribution to conference › Poster › Research › peer-review

  22. Published

    Critical thickness for GaN thin film on AlN substrate

    Coppeta, R. A., Ceric, H., Holec, D. & Grasser, T., 2013.

    Research output: Contribution to conference › Poster › Research › peer-review

  23. Published

    Critical thickness for GaN thin film on AlN substrate

    Coppeta, R. A., Ceric, H., Holec, D. & Grasser, T., 2013, Integrated Reliability Workshop Final Report (IRW), 2013 IEEE International. p. 133-136

    Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

  24. Published

    Elastic constants and critical thicknesses of ScGaN and ScAlN

    Zhang, S., Fu, W. Y., Holec, D., Humphreys, C. J. & Moram, M. A., 2013, In: Journal of applied physics. 114, p. 2435161-243516-6

    Research output: Contribution to journal › Article › Research › peer-review

  25. Published

    First principles study of alloying trends in Ti-Al-N and Cr-Al-N systems

    Holec, D., Zhou, L., Rachbauer, R. & Mayrhofer, P. H., 2013.

    Research output: Contribution to conference › Poster › Research › peer-review

  26. Published

    First-principles study of elastic properties of cubic Cr1-xAlxN alloys

    Zhou, L., Holec, D. & Mayrhofer, P. H., 2013, In: Journal of applied physics. 113, p. 043511-1-043511-8

    Research output: Contribution to journal › Article › Research › peer-review

  27. Published

    Influence of the bilayer period on the structure of AlN and the mechanical properties of CrN/AlN multilayer coatings

    Mayrhofer, P. H., Schlögl, M., Mayer, B., Chawla, V. & Holec, D., 2013.

    Research output: Contribution to conference › Poster › Research › peer-review

  28. Published

    Magnetic field strength influence on the reactive magnetron sputter deposition of Ta2O5

    Hollerweger, R., Holec, D., Paultisch, J., Rachbauer, R., Polcik, P. & Mayrhofer, P. H., 2013, In: Journal of physics / D, Applied physics. 46, p. 335203-335210

    Research output: Contribution to journal › Article › Research › peer-review

  29. Published

    Nanomechanics of Carbon Nanotubes

    Sun, Y. W., Dunstan, D. J., Hartmann, M. & Holec, D., 2013, PAMM - Proceedings in Applied Mathematics and Mechanics. p. 7-10

    Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

  30. Published

    Nanomechanics of Carbon Nanotubes

    Sun, Y. W., Dunstan, D. J., Hartmann, M. & Holec, D., 2013, In: Proceedings in applied mathematics and mechanics. 13, p. 7-10

    Research output: Contribution to journal › Article › Research › peer-review

  31. Published

    On the behavior of yttria/yttrium during mechanical alloying of a Fe-Y2O3 model alloy system

    Ressel, G., Parz, P., Fian, A., Holec, D., Primig, S., Puff, W., Leitner, H. & Clemens, H., 2013.

    Research output: Contribution to conference › Poster › Research › peer-review

  32. Published

    Phase stability, mechanical properties and thermal stability of Y alloyed Ti-Al-N coatings

    Riedl, H., Holec, D., Rachbauer, R., Polcik, P., Hollerweger, R., Paulitsch, J. & Mayrhofer, P. H., 2013, In: Surface & coatings technology. 235, p. 174-180

    Research output: Contribution to journal › Article › Research › peer-review

  33. Published

    Phase stability, mechanical properties and thermal stability of Y alloyed Ti-Al-N thin films

    Riedl, H., Hollerweger, R., Holec, D., Rachbauer, R., Polcik, P. H., Paulitsch, J. & Mayrhofer, P. H., 2013.

    Research output: Contribution to conference › Poster › Research › peer-review

  34. Published

    Phase stability, structural and elastic properties of ternary Cr1-xTMxN alloys: An Ab-inintio study

    Zhou, L., Holec, D. & Mayrhofer, P. H., 2013.

    Research output: Contribution to conference › Poster › Research › peer-review

  35. Published

    Stabilization criteria for cubic AlN in TiN/AlN and CrN/AlN bi-layer systems

    Chawla, V., Holec, D. & Mayrhofer, P. H., 2013, In: Journal of physics / D, Applied physics. 46, p. 045305-1-045305-8

    Research output: Contribution to journal › Article › Research › peer-review

  36. Published

    Tunable optoelectronic and ferroelectric properties in Sc-based III-nitrides

    Zhang, S., Holec, D., Fu, W. Y., Humphreys, C. J. & Moram, M. A., 2013, In: Journal of applied physics. 114, p. 133510-1-133510-11

    Research output: Contribution to journal › Article › Research › peer-review

  37. 2012
  38. Published

    Computer-aided modelling ranging from quantum, via atomistic to continuum level is used to support and interpret experimental observations, as well as to explore new basic-research areas

    Holec, D., 2012.

    Research output: Contribution to conference › Poster › Research › peer-review

  39. Published

    Effect of Hf on structure and age hardening of Ti-Al-N thin films

    Rachbauer, R., Blutmager, A., Holec, D. & Mayrhofer, P. H., 2012, In: Surface & coatings technology. 206, p. 2667-2672

    Research output: Contribution to journal › Article › Research › peer-review

  40. Published

    Elasticity in binary and ternary transition metal nitrides

    Holec, D., Wagner, P., Friak, M. & Mayrhofer, P. H., 2012.

    Research output: Contribution to conference › Poster › Research › peer-review

  41. Published

    Electronic origin of structure and mechanical properties in Y and Nb alloyed Ti-Al-N thin films

    Holec, D., Rachbauer, R., Lattemann, M., Hultman, L., Paulitsch, J. & Mayrhofer, P. H., 2012.

    Research output: Contribution to conference › Poster › Research › peer-review

  42. Published

    First-principles study of the thermodynamic and elastic properties of eutectic Fe-Ti alloys

    Zhu, L.-F., Friák, M., Dick, A., Grabowski, B., Hickel, T., Liot, F., Holec, D., Schlieter, A., Kühn, U., Eckert, J., Ebrahimi, Z., Emmerich, H. & Neugebauer, J., 2012, In: Acta materialia. 60, p. 1594-1602

    Research output: Contribution to journal › Article › Research › peer-review

  43. Published

    Increased thermal stability of Ti-Al-N thin films by Ta alloying

    Rachbauer, R., Holec, D. & Mayrhofer, P. H., 2012, In: Surface & coatings technology. 211, p. 98-103

    Research output: Contribution to journal › Article › Research › peer-review

  44. Published

    Interfacial coherency stress distribution in TiN/AlN bilayer and multilayer films studied by FEM analysis

    Chawla, V., Holec, D. & Mayrhofer, P. H., 2012, In: Computational materials science. 55, p. 211-216

    Research output: Contribution to journal › Article › Research › peer-review

  45. Published

    Structural and tribological properties of CrN/TiN multilayer coatings

    Paulitsch, J., Holec, D. & Mayrhofer, P. H., 2012.

    Research output: Contribution to conference › Poster › Research › peer-review

  46. Published

    Surface energies of AlN allotropes from first principles

    Holec, D. & Mayrhofer, P. H., 2012, In: Scripta materialia. 67, p. 760-762

    Research output: Contribution to journal › Article › Research › peer-review

  47. Published

    The alloying effect for CrN coatings from ab initio calculations

    Zhou, L., Holec, D. & Mayrhofer, P. H., 2012.

    Research output: Contribution to conference › Poster › Research › peer-review

  48. Published

    Theory-guided materials design of multi-phase Ti-Nb alloys with bone-matching elastic properties

    Friak, M., Art Counts, W., Ma, D., Sander, B., Holec, D., Raabe, D. & Neugebauer, J., 2012, In: Materials. 5, 10, p. 1853-1872

    Research output: Contribution to journal › Article › Research › peer-review

  49. Published

    Trends in the elastic response of binary early transition metal nitrides

    Holec, D., Friak, M., Neugebauer, J. & Mayrhofer, P. H., 2012, In: Physical review : B, Condensed matter and materials physics. 85, p. 0641011-0641019

    Research output: Contribution to journal › Article › Research › peer-review

  50. 2011
  51. Published

    Strain-induced effects on the electronic structure and N K-edge ELNES of wurtzite A1N and AlxGa1-xN

    Petrov, M., Holec, D., Lymperakis, L., Neugebauer, J. & Humphreys, C. J., 12 Dec 2011, In: Journal of physics / Conference series. 326, 1, 012016.

    Research output: Contribution to journal › Article › Research › peer-review

  52. Published

    Methodological challenges in combining quantum-mechanical and continuum approaches for materials science applications

    Friák, M., Hickel, T., Grabowski, B., Lymperakis, L., Udyansky, A., Dick, A., Ma, D., Roters, F., Zhu, L.-F., Schlieter, A., Kühn, U., Ebrahimi, Z., Lebensohn, A., Holec, D., Eckert, J., Emmerich, H., Raabe, D. & Neugebauer, J., 27 Oct 2011, In: European Physical Journal Plus. 126.2011, 10, 22 p., 101.

    Research output: Contribution to journal › Article › Research › peer-review

  53. 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 journal › Article › Research › peer-review

  54. Published

    Continuum modeling of van der Waals interactions between carbon onion layers

    Todt, M., Rammerstorfer, F. G., Fischer, F. D., Mayrhofer, P. H., Holec, D. & Hartmann, M., 2011, In: Carbon. 49, p. 1620-1627

    Research output: Contribution to journal › Article › Research › peer-review

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