Publikationen von T. Hickel
Alle Typen
Zeitschriftenartikel (132)
121.
Zeitschriftenartikel
34, S. 129 - 133 (2010)
Thermodynamic properties of cementite (Fe3C). CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry 122.
Zeitschriftenartikel
106, S. 083707-1 - 083707-7 (2009)
Polarization-induced charge carrier separation in polar and nonpolar grown GaN quantum dots. Journal of Applied Physics 123.
Zeitschriftenartikel
80 (9), S. 603 - 608 (2009)
The Effect of Disorder on the Concentration-Dependence of Stacking Fault Energies in Fe1-xMnx – A First Principles Study. Steel Research International 124.
Zeitschriftenartikel
79, 184406, S. 184406-1 - 184406-5 (2009)
Pressure dependence of the Curie temperature in bcc iron studied by ab initio simulations. Physical Review B 125.
Zeitschriftenartikel
79 (13), 134106 (2009)
Ab initio up to the melting point: Anharmonicity and vacancies in aluminum. Physical Review B 126.
Zeitschriftenartikel
102 (3), 035702 (2009)
Understanding the phase transformations of the Ni2MnGa shape memory system from first principles. Physical Review Letters 127.
Zeitschriftenartikel
80, S. 4 - 8 (2009)
Steel design from fully parameter-free ab initio computer simulations. Steel Research International 128.
Zeitschriftenartikel
78, 235302 (2008)
A comparison of atomistic and continuum theoretical approaches to determine electronic properties of GaN/AlN quantum dots. Physical Review B 129.
Zeitschriftenartikel
7, S. 972 - 977 (2008)
A map for phase-change materials. Nature Materials 130.
Zeitschriftenartikel
78, 033102 (2008)
Free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. Physical Review B 131.
Zeitschriftenartikel
76 (2), 024309 (2007)
Ab initio study of the thermodynamic properties of nonmagnetic elementary fcc metals: Exchange-correlation-related error bars and chemical trends. Physical Review B 132.
Zeitschriftenartikel
378-80, S. 706 - 707 (2006)
A self-consistent projection-operator approach to the Kondo-lattice model. Physica B-Condensed Matter Buchkapitel (1)
133.
Buchkapitel
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)
Konferenzbeitrag (10)
134.
Konferenzbeitrag
13, S. 1099 - 1104 (2018)
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 135.
Konferenzbeitrag
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)
Impact of Magnetism on the Stability of Topologically Close-packed (TCP) Phases in Fe–Nb Alloys. In: Proc. Intermetallics 2017, S. 89 - 90 (Hg. 136.
Konferenzbeitrag
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)
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. 137.
Konferenzbeitrag
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)
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. 138.
Konferenzbeitrag
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)
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. 139.
Konferenzbeitrag
Identification of hydrogen related mechanisms in steels using ab initio methods. Proceedings of Steel Hydrogen Conference, Ghent, Belgium, 28. September 2011. (2011)
140.
Konferenzbeitrag
105, S. 22 - 50 (2011)
Advancing DFT to finite temperatures: Methods and applications in steel design. PSI-k Newsletter