Publications

Talk (379)

1. 461.
   MPG.PuRe
   Talk

   Marquardt, O.; Hickel, T.; Neugebauer, J.: Effect of strain and polarization on the electronic properties of 2-, 1- and 0-dimensional semiconductor nanostructures. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
2. 462.
   MPG.PuRe
   Talk

   Uijttewaal, M.; Hickel, T.; Neugebauer, J.: Phase transformations of Ni₂MnGa shape memory alloy from first principles: The (pre-)martensitic transition by phonons and magnons, Soft mode phase transformation by phonon couplings. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
3. 463.
   MPG.PuRe
   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. 464.
   MPG.PuRe
   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. 465.
   MPG.PuRe
   Talk

   Marquardt, O.; Hickel, T.; Neugebauer, J.: Neues Licht aus künstlichen Atomen - Halbleiterquantenpunkte. Schulvortrag zur Jahrestagung der MPG, Dresden, Germany (2008)
6. 466.
   MPG.PuRe
   Talk

   Friák, M.; Sob, M.; Kim, O.; Ismer, L.; Neugebauer, J.: Ab initio study of the alpha-iron stability limits. Ab initio Description of Iron and Steel: Magnetism and Phase diagrams (ADIS 2008), Ringberg castle, Tegernsee, Germany (2008)
7. 467.
   MPG.PuRe
   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)
8. 468.
   MPG.PuRe
   Talk

   Ismer, L.; Friák, M.; Hickel, T.; Neugebauer, J.: Effect of interstitial carbon on the magnetic structure of fcc iron: Towards an ab-initio simulation of austenitic steels. International Workshop on Ab initio Description of Iron and Steel (ADIS2008), Ringberg Castle, Germany (2008)
9. 469.
   MPG.PuRe
   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)
10. 470.
    MPG.PuRe
    Talk

    Uijttewaal, M.; Hickel, T.; Neugebauer, J.: Phase transformations of Ni₂MnGa shape memory alloy from first principles: The martensitic transition & magnetism, The pre-martensitic transition & soft modes, Off-stoichiometry & the stability of the phases. Workshop on magnetic shape memory alloys, Bremen, Germany (2008)
11. 471.
    MPG.PuRe
    Talk

    Hickel, T.: Ab initio determination of free energies and phase diagrams. MPIE Inter-Departmental Tutorial Day(s) 2008, MPIE, Duesseldorf, Germany (2008)
12. 472.
    MPG.PuRe
    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)
13. 473.
    MPG.PuRe
    Talk

    Marquardt, O.; Hickel, T.; Neugebauer, J.: Optical properties of semiconductor nanostructures including strain and piezoelectric effects. PARSEM meeting and workshop, Cambridge, UK (2008)
14. 474.
    MPG.PuRe
    Talk

    Hickel, T.; Uijttewaal, M.; Neugebauer, J.: Ab initio Investigations of Temperature Dependent Effects in MSM Alloys. Antragskolloquium SPP1239, Dresden, Germany (2008)
15. 475.
    MPG.PuRe
    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)
16. 476.
    MPG.PuRe
    Talk

    Marquardt, O.; Hickel, T.; Neugebauer, J.: Plane-wave implementation of the k.p-formalism including strain and piezoelectricity to study the optical properties of semiconductor nanostructures. Spring meeting of the German Physical Society (DPG), Berlin, Germany (2008)
17. 477.
    MPG.PuRe
    Talk

    Uijttewaal, M.; Hickel, T.; Neugebauer, J.: Phase transformations of Ni₂MnGa shape memory alloy from first principles. Spring meeting of the German Physical Society (DPG), Berlin, Germany (2008)
18. 478.
    MPG.PuRe
    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)
19. 479.
    MPG.PuRe
    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)
20. 480.
    MPG.PuRe
    Talk

    Marquardt, O.; Hickel, T.; Neugebauer, J.: Optical properties of semiconductor nanostructures, a PW-approach to real-space properties. MRL seminar at UCSB, UCSB, Santa Barbara, USA (2008)