Publications

Journal Article (382)

1. 301.
   MPG.PuRe

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   Pfanner, G.; Freysoldt, C.; Neugebauer, J.: Ab initio study of electron paramagnetic resonance hyperfine structure of the silicon dangling bond: Role of the local environment. Physical Review B 83 (14), 144110, pp. 1 - 8 (2011)
2. 302.
   MPG.PuRe

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   Fleck, M.; Pilipenko, D. A.; Spatschek, R. P.; Brener, E. A.: Brittle fracture in viscoelastic materials as a pattern-formation process. Physical Review E 83, pp. 046213-1 - 046213-24 (2011)
3. 303.
   MPG.PuRe

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   Fleck, M.; Pilipenko, D. A.; Spatschek, R. P.; Brener, E. A.: Brittle fracture in viscoelastic materials as a pattern-formation process. Physical Review E 83 (4/2), 046213 (2011)
4. 304.
   MPG.PuRe

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   Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: Role of spin quantization in determining the thermodynamic properties of magnetic transition metals. Physical Review B 83 (16), 165114 (2011)
5. 305.
   MPG.PuRe

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   Boeck, S.; Freysoldt, C.; Dick, A.; Ismer, L.; Neugebauer, J.: The object-oriented DFT program library S/PHI/nX. Computer Physics Communications 182 (3), pp. 543 - 554 (2011)
6. 306.
   MPG.PuRe
   Journal Article

   von Pezold, J.; Lymperakis, L.; Neugebauer, J.: Hydrogen-enhanced plasticity at dilute bulk H concentrations: The role of H-H interactions and the formation of local hydrides. Acta Materialia 59, pp. 2969 - 2980 (2011)
7. 307.
   MPG.PuRe

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   Kalesaki, E.; Kioseoglou, J.; Lymperakis, L.; Komninou, P.; Karakostas, T.: Effect of edge threading dislocations on the electronic structure of InN. Applied Physics Letters 98 (7), pp. 072103-1 - 072103-3 (2011)
8. 308.
   MPG.PuRe

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   Renner, F. U.; Eckstein, G. A.; Lymperakis, L.; Dakkouri-Baldauf, A.; Rohwerder, M.; Neugebauer, J.; Stratmann, M.: In-situ Scanning Tunneling Microscopy Study of selective dissolution of Au₃Cu and Cu₃Au(001). SI, pp. 1694 - 1700 (2011)
9. 309.
   MPG.PuRe

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   Abbasi, A.; Dick, A.; Hickel, T.; Neugebauer, J.: First-principles investigation of the effect of carbon on the stacking fault energy of Fe–C alloys. Acta Materialia 59, pp. 3041 - 3048 (2011)
10. 310.
    MPG.PuRe

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    Friák, M.; Hickel, T.; Körmann, F.; Udyansky, A.; Dick, A.; von Pezold, J.; Ma, D.; Kim, O.; Counts, W. A.; Šob, M. et al.; Gebhardt, T.; Music, D.; Schneider, J.; Raabe, D.; Neugebauer, J.: Determining the elasticity of materials employing quantum mechanical approaches: From the electronic ground state to the limits of materials stability. Steel Research International 82 (2), pp. 86 - 100 (2011)
11. 311.
    MPG.PuRe

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    Kioseoglou, J.; Kalesaki, E.; Lymperakis, L.; Neugebauer, J.; Komninou, P.; Karakostas, T.: Electronic structure of 1/6 <20 2¯3> partial dislocations in wurtzite GaN. Journal of Applied Physics 109, pp. 083511-1 - 083511-6 (2011)
12. 312.
    MPG.PuRe

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    Nikolov, S.; Fabritius, H. O.; Petrov, M.; Friák, M.; Lymperakis, L.; Sachs, C.; Raabe, D.; Neugebauer, J.: Robustness and optimal use of design principles of arthropod exoskeletons studied by ab initio-based multiscale simulations. Journal of the Mechanical Behavior of Biomedical Materials 4, pp. 129 - 145 (2011)
13. 313.
    MPG.PuRe

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    Journal Article

    Renner, F. U.; Eckstein, G. A.; Lymperakis, L.; Dakkouri-Baldauf, A.; Rohwerder, M.; Neugebauer, J.; Stratmann, M.: In situ scanning tunneling microscopy study of selective dissolution of Au₃Cu and Cu₃Au (001). Electrochimica Acta 56 (4), pp. 1694 - 1700 (2011)
14. 314.
    MPG.PuRe
    Journal Article

    Schlieter, A.; Kühn, U.; Eckert, J.; Löser, W.; Gemming, T.; Friák, M.; Neugebauer, J.: Anisotropic mechanical behavior of ultrafine eutectic TiFe cast under non-equilibrium conditions. Intermetallics 19, pp. 327 - 335 (2011)
15. 315.
    MPG.PuRe

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    Udyansky, A.; von Pezold, J.; Dick, A.; Neugebauer, J.: Orientational ordering of interstitial atoms and martensite formation in dilute Fe-based solid solutions. Physical Review B 83 (18), pp. 184112-1 - 184112-11 (2011)
16. 316.
    MPG.PuRe

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    Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Using ab initio calculations in designing bcc MgLi–X alloys for ultra-lightweight applications. Advanced Engineering Materials 12 (12), pp. 1198 - 1205 (2010)
17. 317.
    MPG.PuRe
    Journal Article

    Nazarov, R.; Hickel, T.; Neugebauer, J.: First-principles study of the thermodynamics of hydrogen-vacancy interaction in fcc iron. Physical Review B 82 (22), pp. 224104-1 - 224104-11 (2010)
18. 318.
    MPG.PuRe

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    Elstnerová, P.; Friák, M.; Fabritius, H.; Lymperakis, L.; Hickel, T.; Petrov, M.; Nikolov, S.; Raabe, D.; Ziegler, A.; Hild, S. et al.; Neugebauer, J.: Ab initio study of thermodynamic, structural, and elastic properties of Mg-substituted crystalline calcite. Acta Biomaterialia 6 (12), pp. 4506 - 4512 (2010)
19. 319.
    MPG.PuRe

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    Valtiner, M.; Todorova, M.; Neugebauer, J.: Hydrogen Adsorption on polar ZnO(0001)–Zn: Extending equilibrium surface phase diagrams to kinetically stabilized structures. Physical Review B 82 (16), 165418 (2010)
20. 320.
    MPG.PuRe

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    Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Ab Initio Guided Design of bcc Ternary Mg–Li–X (X=Ca,Al,Si,Zn,Cu) Alloys for Ultra-Lightweight Applications. Advanced Engineering Materials 12 (7), pp. 572 - 576 (2010)