Publications

Publications

Journal Article (2)

  1. 1.
    Journal Article
    Lencer, D.; Salinga, M.; Grabowski, B.; Hickel, T.; Neugebauer, J.: A map for phase-change materials. Nature Materials 7, pp. 972 - 977 (2008)
  2. 2.
    Journal Article
    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)

Conference Paper (2)

  1. 3.
    Conference Paper
    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, June 12, 2007 - June 14, 2007. Journal of Physics-Condensed Matter (6), (2008)
  2. 4.
    Conference Paper
    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, November 26, 2007 - November 30, 2007. Magnetic Shape Memory Alloys, (2008)

Talk (10)

  1. 5.
    Talk
    Hickel, T.; Grabowski, B.; Körmann, F.; Uijttewaal, M.; Dick, A.; Neugebauer, J.: First principles determination of thermodynamic properties of metals. Materials Science and Engineering (MSE08), Nürnberg, Germany (2008)
  2. 6.
    Talk
    Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
  3. 7.
    Talk
    Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: An efficient thermodynamic integration scheme. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
  4. 8.
    Talk
    Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: First principles determination of phase transitions in magnetic shape memory alloys. XXI Congress of the International Union of Crystallography, Osaka, Japan (2008)
  5. 9.
    Talk
    Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Influence of vacancies and explicit anharmonicity. International Workshop on Ab initio Description of Iron and Steel (ADIS2008), Ringberg Castle, Germany (2008)
  6. 10.
    Talk
    Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. International Workshop on Ab initio Description of Iron and Steel (ADIS2008), Ringberg Castle, Germany (2008)
  7. 11.
    Talk
    Counts, W. A.; Petrov, M.; Friák, M.; Grabowski, B.; Hickel, T.; Raabe, D.; Neugebauer, J.: Using Density Functional Theory to Predict Material Properties of Alloy and Biological Systems. Invited talk at University of Groningen, Department of Biomedical Engineering, Groningen, The Netherlands (2008)
  8. 12.
    Talk
    Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Influence of vacancies and explicit anharmonicity. Spring meeting of the German Physical Society (DPG), Berlin, Germany (2008)
  9. 13.
    Talk
    Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: First principles Determination of Phase Transitions in Magnetic Shape Memory Alloys. Group Seminar in Materials Department, University of California (UCSB), Santa Barbara, CA, USA (2008)
  10. 14.
    Talk
    Hickel, T.; Grabowski, B.; Körmann, F.; Dick, A.; Neugebauer, J.: Ab intio determination of free energies and phase diagrams. German-Korean miniworkshop, MPI für Eisenforschung GmbH, Düsseldorf, Germany (2008)

Poster (4)

  1. 15.
    Poster
    Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Importance of magnetism for the thermodynamics of bcc iron: An ab initio study. Summer School 'Nanomagnetism and Spintronics', Prague, Czech Republic (2008)
  2. 16.
    Poster
    Udyansky, A.; Friák, M.; Grabowski, B.; Hickel, T.; Neugebauer, J.: First Principles Study of Fe–C interstitial solid solutions. International Workshop on Ab initio Description of Iron and Steel (ADIS2008), Ringberg Castle, Germany (2008)
  3. 17.
    Poster
    Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: First principles determination of phase transitions: The (pre)martensitic transition in Ni2MnGa. UCSB-MPG Workshop on Inorganic Materials for Energy Conversion, Storage and Conservation, UCLA Lake Arrowhead Conference Center, CA, USA (2008)
  4. 18.
    Poster
    Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Importance of magnetism for the thermal expansion of transition metals: An ab initio study. Spring meeting of the German Physical Society (DPG), Berlin, Germany (2008)
 
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