Publikationen von Tilmann Hickel

Uijttewaal, M.; Hickel, T.; Neugebauer, J.; Gruner, M. E.; Entel, P.: Understanding the phase transformations of the Ni₂MnGa shape memory system from first principles. Physical Review Letters 102 (3), 035702 (2009)

Hickel, T.; Dick, A.; Grabowski, B.; Körmann, F.; Neugebauer, J.: Steel design from fully parameter-free ab initio computer simulations. Steel Research International 80, S. 4 - 8 (2009)

Marquardt, O.; Mourad, D.; Schulz, S.; Hickel, T.; Czycholl, G.; Neugebauer, J.: A comparison of atomistic and continuum theoretical approaches to determine electronic properties of GaN/AlN quantum dots. Physical Review B 78, 235302 (2008)

Lencer, D.; Salinga, M.; Grabowski, B.; Hickel, T.; Neugebauer, J.: A map for phase-change materials. Nature Materials 7, S. 972 - 977 (2008)

Körmann, F.; Dick, A.; Grabowski, B.; Hallstedt, B.; Hickel, T.; Neugebauer, J.: Free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. Physical Review B 78, 033102 (2008)

Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio study of the thermodynamic properties of nonmagnetic elementary fcc metals: Exchange-correlation-related error bars and chemical trends. Physical Review B 76 (2), 024309 (2007)

Hickel, T.; Nolting, W.: A self-consistent projection-operator approach to the Kondo-lattice model. Physica B-Condensed Matter 378-80, S. 706 - 707 (2006)

Nolting, W.; Hickel, T.; Santos, C.: Carrier Induced Ferromagnetism in Concentrated and Diluted Local-Moment Systems. In: Local moment ferromagnets: unique properties for modern applications, S. 47 - 70. Springer, Berlin, Heidelberg, Germany (2005)

McEniry, E.; Hickel, T.; Neugebauer, J.: Atomistic modelling of light-element co-segregation at structural defects in iron. 22nd European Conference on Fracture, ECF 2018, Belgrade, Serbia, 25. August 2018 - 26. September 2018. Procedia Structural Integrity 13, S. 1099 - 1104 (2018)

Zendegani, A.; Šlapáková Poková, M.; Liebscher, C.; Stein, F.; Ladines, A. N. C.; Hammerschmidt, T.; Drautz, R.; Körmann, F.; Hickel, T.; Neugebauer, J.: Impact of Magnetism on the Stability of Topologically Close-packed (TCP) Phases in Fe–Nb Alloys. In: Proc. Intermetallics 2017, S. 89 - 90 (Hg. Heilmaier, M.; Krüger, M.; Mayer, S.; Palm, M.; Stein, F.). Intermetallics 2017, Educational Center Kloster Banz, Bad Staffelstein, Germany, 02. Oktober 2017 - 06. Oktober 2017. Proc. Intermetallics 2017, Jena, Germany (2017)

Fultz, B. T.; Mauger, L.; Körmann, F.; Grabowski, B.; Lucas, M. S.; Muñoz, J. A.; Tracy, S. J.; Dutta, B.; Hickel, T.; Neugebauer, J.: Stabilization of bcc iron by magnon-phonon interactions. In: PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, S. 709 - 710 (Hg. Chen, L.-Q.; Militzer, M.; Botton, G.; Howe, J.; Sinclair, C. W. et al.). International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, PTM 2015, Whistler, BC, Canada, 28. Juni 2015 - 03. Juli 2015. International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, Whistler, BC, Canada (2015)

Korbmacher, D.; Glensk, A.; Grabowski, B.; Hickel, T.; Duff, A.; Finnis, M. W.; Neugebauer, J.: Ab initio description of the Ti BCC to ω transition at finite temperatures. In: PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, S. 755 - 756 (Hg. Chen, L.-Q.; Militzer, M.; Botton, G.; Howe, J.; Sinclair, C. W. et al.). International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, PTM 2015, Whistler, BC, Canada, 28. Juni 2015 - 03. Juli 2015. International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, Whistler, BC, Canada (2015)

Neugebauer, J.; Glensk, A.; Leyson, G. P. M.; Körmann, F.; Grabowski, B.; Hickel, T.: Ab initio description of finite temperature phase stabilities and transformations. In: PTM 2015 - Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, S. 751 - 752 (Hg. Chen, L.-Q.; Militzer, M.; Botton, G.; Howe, J.; Sinclair, C. W. et al.). International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015, PTM 2015, Whistler, BC, Canada, 28. Juni 2015 - 03. Juli 2015. PTM 2015, Whistler, British Columbia (2015)

Hickel, T.; Nazarov, R.; von Pezold, J.; Friák, M.; Neugebauer, J.; Ismer, L.: Identification of hydrogen related mechanisms in steels using ab initio methods. Proceedings of Steel Hydrogen Conference, Ghent, Belgium, 28. September 2011. (2011)

Hickel, T.; Grabowski, B.; Körmann, F.; Neugebauer, J.: Advancing DFT to finite temperatures: Methods and applications in steel design. PSI-k Newsletter 105, S. 22 - 50 (2011)

Marquardt, O.; Schulz, S.; O’Reilly, E. P.; Freysoldt, C.; Boeck, S.; Hickel, T.; Neugebauer, J.: A flexible, plane-wave-based formulation of continuum elasticity and multiband k.p models. 11th Intern. Conference on Numerical Simulation of Optoelectronic Devices, Rome, Italy, 05. September 2011 - 08. September 2011., (2011)

Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: Determination of symmetry reduced structures using a soft phonon analysis for magnetic shape memory alloys. Second Workshop on Theory meets Industry, Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12. Juni 2007 - 14. Juni 2007. Journal of Physics-Condensed Matter (6), 064219, (2008)

Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: Determination of symmetry reduced structures by a soft-phonon analysis in Ni₂MnGa. MRS Fall Meeting 2007, Boston, MA, USA, 26. November 2007 - 30. November 2007. Magnetic Shape Memory Alloys, (2008)

Waseda, O.; Hickel, T.; Neugebauer, J.: Dissecting physics of carbon ordering in bcc iron. Thermec 2025, Toulouse, France (2025)

Neugebauer, J.; Hickel, T.; Körmann, F.; Todorova, M.: Materials design and discovery in high-dimensional chemical and structural configuration spaces. Psi-k 2020 Conference, Lausanne, Switzerland (2024)