Journal Article (533)

81.
Journal Article
Oh, H. S.; Odbadrakh, K.; Ikeda, Y.; Mu, S.; Körmann, F.; Sun, C.-J.; Ahn, H. S.; Yoon, K. N.; Ma, D.; Tasan, C. C. et al.; Egami, T.; Park, E. S.: Element-resolved local lattice distortion in complex concentrated alloys: An observable signature of electronic effects. Acta Materialia 216, 117135 (2021)
82.
Journal Article
Jang, T. J.; Choi, W. S.; Kim, D. W.; Choi, G.; Jun, H.; Ferrari, A.; Körmann, F.; Choi, P.-P.; Sohn, S. S.: Shear band-driven precipitate dispersion for ultrastrong ductile medium-entropy alloys. Nature Communications 12 (1), 4703 (2021)
83.
Journal Article
Gault, B.; Chiaramonti, A. N.; Cojocaru-Mirédin, O.; Stender, P.; Dubosq, R.; Freysoldt, C.; Makineni, S. K.; Li, T.; Moody, M. P.; Cairney, J. M.: Atom probe tomography. Nature reviews: Methods primers 1, 51 (2021)
84.
Journal Article
Gubaev, K.; Ikeda, Y.; Tasnádi, F.; Neugebauer, J.; Shapeev, A.; Grabowski, B.; Körmann, F.: Finite-temperature interplay of structural stability, chemical complexity, and elastic properties of bcc multicomponent alloys from ab initio trained machine-learning potentials. Physical Review Materials 5 (7), 073801 (2021)
85.
Journal Article
Palanisamy, D.; Kovács, A.; Hegde, O.; Dunin-Borkowski, R. E.; Raabe, D.; Hickel, T.; Gault, B.: Influence of crystalline defects on magnetic nanodomains in a rare-earth-free magnetocrystalline anisotropic alloy. Physical Review Materials 5 (6), 064403 (2021)
86.
Journal Article
Koprek, A.; Zabierowski, P.; Pawlowski, M.; Sharma, L.; Freysoldt, C.; Gault, B.; Würz, R.; Cojocaru-Mirédin, O.: Effect of Cd diffusion on the electrical properties of the Cu(In,Ga)Se2 thin-film solar cell. Solar Energy Materials and Solar Cells 224, 110989 (2021)
87.
Journal Article
Pei, Z.; Dutta, B.; Körmann, F.; Chen, M.: Hidden Effects of Negative Stacking Fault Energies in Complex Concentrated Alloys. Physical Review Letters 126 (25), 255502 (2021)
88.
Journal Article
Körmann, F.; Kostiuchenko, T.; Shapeev, A.; Neugebauer, J.: B2 ordering in body-centered-cubic AlNbTiV refractory high-entropy alloys. Physical Review Materials 5 (5), 053803 (2021)
89.
Journal Article
Ikeda, Y.; Körmann, F.: Impact of N on the Stacking Fault Energy and Phase Stability of FCC CrMnFeCoNi: An Ab Initio Study. Journal of Phase Equilibria 42, pp. 551 - 560 (2021)
90.
Journal Article
Surendralal, S.; Todorova, M.; Neugebauer, J.: Impact of Water Coadsorption on the Electrode Potential of H–Pt(1 1 1)-Liquid Water Interfaces. Physical Review Letters 126 (16), 166802 (2021)
91.
Journal Article
Yoo, S.-H.; Lymperakis, L.; Neugebauer, J.: Efficient electronic passivation scheme for computing low-symmetry compound semiconductor surfaces in density-functional theory slab calculations. Physical Review Materials 5 (4), 044605 (2021)
92.
Journal Article
Gupta, A.; Tas, B.; Korbmacher, D.; Dutta, B.; Neitzel, Y.; Grabowski, B.; Hickel, T.; Esin, V.; Divinski, S. V.; Wilde, G. et al.; Neugebauer, J.: A Combined Experimental and First-Principles Based Assessment of Finite-Temperature Thermodynamic Properties of Intermetallic Al3Sc. Materials 14 (8), 1837 (2021)
93.
Journal Article
Deißenbeck, F.; Freysoldt, C.; Todorova, M.; Neugebauer, J.; Wippermann, S. M.: Dielectric Properties of Nanoconfined Water: A Canonical Thermopotentiostat Approach. Physical Review Letters 126 (13), 136803 (2021)
94.
Journal Article
Lee, Y.-J.; Han, M.; Yoo, S.-H.; Soon, A.: Tunable Threshold Voltage of ZnTe-Based Ovonic Switching Devices via Isovalent Cation Exchange. ACS Applied Electronic Materials 3 (3), pp. 1107 - 1114 (2021)
95.
Journal Article
Ta, N.; Bilal, M. U.; Häusler, I.; Saxena, A.; Lin, Y.-Y.; Schleifer, F.; Fleck, M.; Glatzel, U.; Skrotzki, B.; Kamachali, R. D.: Simulation of the θ’ precipitation process with interfacial anisotropy effects in Al–Cu alloys. Materials 14 (5), 1280 (2021)
96.
Journal Article
Rao, Z.; Dutta, B.; Körmann, F.; Lu, W.; Zhou, X.; Liu, C.; Kwiatkowski da Silva, A.; Wiedwald, U.; Spasova, M.; Farle, M. et al.; Ponge, D.; Gault, B.; Neugebauer, J.; Raabe, D.; Li, Z.: Beyond Solid Solution High‐Entropy Alloys: Tailoring Magnetic Properties via Spinodal Decomposition. Advanced Functional Materials 31 (7), 2007668 (2021)
97.
Journal Article
Zhu, L.-F.; Janßen, J.; Ishibashi, S.; Körmann, F.; Grabowski, B.; Neugebauer, J.: A fully automated approach to calculate the melting temperature of elemental crystals. Computational Materials Science 187 (11), 110065 (2021)
98.
Journal Article
Schneider, A.; Fu, C.-C.; Waseda, O.; Barreteau, C.; Hickel, T.: Ab initio based models for temperature-dependent magnetochemical interplay in bcc Fe–Mn alloys. Physical Review B 103 (2), 024421 (2021)
99.
Journal Article
Mendive-Tapia, E.; dos Santos Dias, M.; Grytsiuk, S.; Staunton, J. B.; Blügel, S.; Lounis, S.: Short period magnetization texture of B20–MnGe explained by thermally fluctuating local moments. Physical Review B 103 (2), 024410 (2021)
100.
Journal Article
Ferrari, A.; Körmann, F.: Design of compositionally complex catalysts: Role of surface segregation. Journal of Materials Research and Technology 14, pp. 1830 - 1836 (2021)
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