Publications

Publications

Journal Article (7)

  1. 1.
    Journal Article
    Marquardt, O.; Hickel, T.; Neugebauer, J.: Polarization-induced charge carrier separation in polar and nonpolar grown GaN quantum dots. Journal of Applied Physics 106, pp. 083707-1 - 083707-7 (2009)
  2. 2.
    Journal Article
    Dick, A.; Hickel, T.; Neugebauer, J.: The Effect of Disorder on the Concentration-Dependence of Stacking Fault Energies in Fe1-xMnx – A First Principles Study. Steel Research International 80 (9), pp. 603 - 608 (2009)
  3. 3.
    Journal Article
    Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: Pressure dependence of the Curie temperature in bcc iron studied by ab initio simulations. Physical Review B 79, 184406, pp. 184406-1 - 184406-5 (2009)
  4. 4.
    Journal Article
    Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Anharmonicity and vacancies in aluminum. Physical Review B 79 (13), 134106 (2009)
  5. 5.
    Journal Article
    Young, T. D.; Marquardt, O.: Influence of strain and polarization on electronic properties of a GaN/AlN quantum dot. Physica Status Solidi C C6 (S2), pp. S557 - S560 (2009)
  6. 6.
    Journal Article
    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)
  7. 7.
    Journal Article
    Hickel, T.; Dick, A.; Grabowski, B.; Körmann, F.; Neugebauer, J.: Steel design from fully parameter-free ab initio computer simulations. Steel Research International 80, pp. 4 - 8 (2009)

Talk (40)

  1. 8.
    Talk
    Hickel, T.; Neugebauer, J.: Simulation tools for ab initio steel design. CM Special Workshop on "Ab initio Description of Iron, Steel and Related Materials", MPIE, Düsseldorf, Germany (2009)
  2. 9.
    Talk
    Nazarov, R.; Hickel, T.; Neugebauer, J.: Wasserstoff in X-IP Stahl (ab initio): Einfluss von Defekten auf die Energetik und Dynamik von Wasserstoff in Manganstählen. X-IP Workshop, Dortmund, Germany (2009)
  3. 10.
    Talk
    Dick, A.; Hickel, T.; Neugebauer, J.: Ab Initio Interfacial Austenite/Martensite Energies for Accurate Stacking Fault Energy Calculations in High-Mn Steels. Materials Research Society 2010 Fall Meeting, Boston, MA, USA (2009)
  4. 11.
    Talk
    Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Anharmonicity and vacancies in aluminum. MRS Fall Meeting, Boston, MA, USA (2009)
  5. 12.
    Talk
    Marquardt, O.; Hickel, T.; Neugebauer, J.: Polarization-induced charge carrier separation in realistic polar and nonpolar grown GaN quantum dots. Collaborative Conference on Interacting Nanostructures CCIN'09, San Diego, CA, USA (2009)
  6. 13.
    Talk
    Hickel, T.; Al-Zubi, A.; Neugebauer, J.: Ab initio investigation of temperature dependent effects in magnetic shape memory Heusler alloys. SPP1239 Fokustreffen A "Fundamentals", Bonn, Germany (2009)
  7. 14.
    Talk
    Hickel, T.; Grabowski, B.; Neugebauer, J.: Quantum mechanically based modeling of temperature driven materials phenomena. Colloquium "Material Science on Supercomputers", MPIE, Düsseldorf, Germany (2009)
  8. 15.
    Talk
    Hickel, T.; Körmann, F.; Dick, A.; Neugebauer, J.: Considerations on the magnetic contribution to the free energy of Fe and related alloys. MCA-Fe. International workshop "Modern computational approaches in iron based alloys”, Ekaterinburg, Russia (2009)
  9. 16.
    Talk
    Marquardt, O.; Hickel, T.; Neugebauer, J.: Optical properties of polar and nonpolar III-nitride quantum dots. workshop "Physics of nitride-based nanostructured light-emitting devices", Bremen, Germany (2009)
  10. 17.
    Talk
    Dick, A.; Hickel, T.; Neugebauer, J.: Thermodynamics of high-Mn steels from ab initio theory. Workshop of the SFB761 "Steel - ab initio", Salzgitter, Germany (2009)
  11. 18.
    Talk
    Hickel, T.; Uijttewaal, M.; Neugebauer, J.: First principles determination of phase transitions in magnetic shape memory alloys. 1st International Conference on Material Modeling, Dortmund, Germany (2009)
  12. 19.
    Talk
    Dick, A.; Hickel, T.; Neugebauer, J.: Stacking Fault Energies In Austenitic FeMn Alloys: An Ab Initio Study. Euromat 2009, Glasgow, UK (2009)
  13. 20.
    Talk
    Hickel, T.; Uijttewaal, M.; Neugebauer, J.: First principles determination of phase transitions in magnetic shape memory alloys. Euromat 2009, Glasgow, UK (2009)
 
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