Herbig, M.; Liebscher, C.; Scheu, C.; Hickel, T.: Leichte Hoch-Mangan-Stähle: Fortschritt durch atomistisches Verständnis. Stahl und Eisen 137 (6), p. 85 - 85 (2017)

Hickel, T.; Roters, F.; Raabe, D.; Neugebauer, J.: Quantenmechanisch geführtes Design von TWIP-Stählen. Stahl und Eisen 137, p. 58 - 58 (2017)

Kirchlechner, C.; Djaziri, S.; Li, Y.; Herbig, M.; Grabowski, B.; Nematollahi, G. A.; Goto, S.; Kirchheim, R.; Neugebauer, J.; Raabe, D. et al.; Dehm, G.: Konkurrenzlose Festigkeit durch extremes Umformen von Stahl. Stahl und Eisen 137 (8), p. 58 - 58 (2017)

Koprek, A.; Cojocaru-Mirédin, O.; Würz, R.; Freysoldt, C.; Gault, B.; Raabe, D.: Cd and Impurity Redistribution at the CdS/CIGS Interface After Annealing of CIGS-Based Solar Cells Resolved by Atom Probe Tomography. IEEE Journal of Photovoltaics 7 (1), 7762819, pp. 313 - 321 (2017)

Körmann, F.; Ikeda, Y.; Grabowski, B.; Sluiter, M. H. F.: Phonon broadening in High Entropy Alloys. npj Computational Materials 3, 36 (2017)

Man, H.; Guo, J.; Zhang, R.; Schönemann, R.; Yin, Z.; Fu, M.; Stone, M. B.; Huang, Q.; Song, Y.; Wang, W. et al.; Singh, D.; Lochner, F.; Hickel, T.; Eremin, I.; Harriger, L.; Lynn, J. W.; Broholm, C.; Balicas, L.; Si, Q.; Dai, P.: Spin excitations and the Fermi surface of superconducting FeS. npj Quantum Materials 2, 14, pp. 1 - 9 (2017)

Nazarov, R.; Majevadia, J. S.; Patel, M.; Wenman, M. R.; Balint, D. S.; Neugebauer, J.; Sutton, A. P.: First-principles calculation of the elastic dipole tensor of a point defect: Application to hydrogen in α -zirconium. Physical Review B 94 (24), 241112 (2016)

Kerdsongpanya, S.; Sun, B.; Eriksson, F.; Jensen, J. A. D.; Lu, J.; Koh, Y. K.; Nong, N.; Balke, B.; Alling, B.; Eklund, P.: Experimental and theoretical investigation of Cr_1-xSc_xN solid solutions for thermoelectrics. Journal of Applied Physics 120 (21), 215103 (2016)

Zuniga-Perez, J.; Consonni, V.; Lymperakis, L.; Kong, X.; Trampert, A.; Fernandez-Garrido, S.; Brandt, O.; Renevier, H.; Keller, S.; Hestroffer, K. et al.; Wagner, M. R.; Reparaz, J. S.; Akyol, F.; Rajan, S.; Rennesson, S.; Palacios, T.; Feuillet, G.: Polarity in GaN and ZnO: Theory, measurement, growth, and devices. Applied Physics Reviews 3 (4), 041303 (2016)

Dutta, B.; Opahle, I.; Hickel, T.: Interface effects on the magnetic properties of layered Ni₂MnGa/Ni₂MnSn alloys: A first-principles investigation. Functional Materials Letters 9 (6), 1642010 (2016)

Shulumba, N.; Hellman, O.; Raza, Z.; Alling, B.; Barrirero, J.; Mücklich, F. T.; Abrikosov, I. A.; Odén, M.: Lattice vibrations change the solid solubility of an alloy at high temperatures. Physical Review Letters 117 (20), 205502 (2016)

Spatschek, R. P.; Gobbi, G.; Hüter, C.; Chakrabarty, A.; Aydin, U.; Brinckmann, S.; Neugebauer, J.: Scale bridging description of coherent phase equilibria in the presence of surfaces and interfaces. Physical Review B 94 (13), 134106 (2016)

Hadian, R.; Grabowski, B.; Race, C. P.; Neugebauer, J.: Atomistic migration mechanisms of atomically flat, stepped, and kinked grain boundaries. Physical Review B 94 (16), 165413 (2016)

Djaziri, S.; Li, Y.; Nematollahi, G. A.; Grabowski, B.; Goto, S.; Kirchlechner, C.; Kostka, A.; Doyle, S.; Neugebauer, J.; Raabe, D. et al.; Dehm, G.: Deformation-Induced Martensite: A New Paradigm for Exceptional Steels. Advanced Materials 28 (35), pp. 7753 - 7757 (2016)

Zhang, X.; Hickel, T.; Rogal, J.; Neugebauer, J.: Interplay between interstitial displacement and displacive lattice transformations. Physical Review B 94 (10), 104109 (2016)

Fabritius, H.-O.; Ziegler, A. S.; Friák, M.; Nikolov, S. D.; Huber, J.; Seidl, B.; Lu, J.; Janus, A. M.; Petrov, M.; Zhu, L.-F. et al.; Hemzalová, P.; Hemzalová, P.; Hild, S.; Raabe, D.; Neugebauer, J.: Functional adaptation of crustacean exoskeletal elements through structural and compositional diversity: a combined experimental and theoretical study. Bioinspiration & Biomimetics 11 (5), 055006 (2016)

Oh, H. S.; Ma, D.; Leyson, G.; Grabowski, B.; Park, E. S.; Körmann, F.; Raabe, D.: Lattice Distortions in the FeCoNiCrMn High Entropy Alloy Studied by Theory and Experiment. Entropy 18 (9), p. 321 - 321 (2016)

Mozafari, E.; Shulumba, N.; Steneteg, P.; Alling, B.; Abrikosov, I. A.: Finite-temperature elastic constants of paramagnetic materials within the disordered local moment picture from ab initio molecular dynamics calculations. Physical Review B 94 (5), 054111 (2016)

Ektarawong, A.; Simak, S. I.; Alling, B.: Carbon-rich icosahedral boron carbides beyond B4 C and their thermodynamic stabilities at high temperature and pressure from first principles. Physical Review B 94 (5), 054104 (2016)

Aksyonov, D. A.; Hickel, T.; Neugebauer, J.; Lipnitskii, A. G.: The impact of carbon and oxygen in alpha-titanium: ab initio study of solution enthalpies and grain boundary segregation. Journal of Physics: Condensed Matter 28 (38), 385001 (2016)