News

Events

Wöchentliches Gruppenseminar (Freitags 13.00)

Promotions-/Postdocstellen zu besetzen

Mögliche Bachelor/Master Projekte

Das Fachgebiet für Materialmodellierung bietet laufend Projekte für Bachelor- und Masterarbeiten an.

Aktuelle Publikationen

Hier findet sich eine Liste von Veröffentlichungen aus dem letzten Jahr. Durch Anklicken des Artikels werden Sie zu der Zusammenfassung auf der Seite des jeweiligen Journals weitergeleitet. Einsehen des vollständigen Artikels bedarf in der Regel ein entsprechendes Abonnement.

Eine Vollständige Publikationsliste unseres Fachgebiets findet sich hier.

Genenko, Yuri A.; Zhukov, Sergey; Yampolskii, Sergey V.; Schütrumpf, Jörg; Dittmer, Robert; Jo, Wook; Kungl, Hans; Hoffmann, Michael J. and Heinz von Seggern: Universal Polarization Switching Behavior of Disordered Ferroelectrics, DOI Adv. Funct. Mater., 2012, 10.1002/adfm.201102841

Pohl, Johan and Albe, Karsten : Void formation in melt-grown silicon studied by molecular dynamics simulations: From grown-in faulted dislocation loops to vacancy clusters, App. Phys. Lett., 99 081910.

Pohl, Johan; Klein, Andreas and Albe, Karsten : Role of copper interstitials in CuInSe2: First-principles calculations, Phys. Rev. B 84, 121201(R) (Rapid Comm.)

Ritter, Yvonne and Albe, Karsten : Thermal annealing of shear bands in deformed metallic glasses: Recovery mechanisms in Cu64Zr36 studied by molecular dynamics simulations, Acta Materialia.

Ritter, Yvonne; Sopu, Daniel; Gleiter, Herbert and Albe, Karsten : Structure, stability and mechanical properties of internal interfaces in Cu64Zr36 nanoglasses studied by MD simulations, Acta Materialia

Vo, N. Q. ; Schäfer, J. ; Averback, R. S. ; Albe, K. ; Askenazy, Y. and Bellon, P. : Reaching theoretical strengths in nanocrystalline Cu by grain boundary doping, Scripta Mat., 65 (8) pp. 660-663.

Hohmann, Mareike V ; Agoston, Peter ; Wachau, Andre ; Bayer, Thorsten J M ; Brötz, Joachim ; Albe, Karsten and Klein, Andreas : Orientation dependent ionization potential of In2O3: A natural source for inhomogeneous barrier formation at electrode interfaces in organic electronics, J. Phys. Cond. Mater. , 23 p. 334203.

Agoston, Peter and Albe, Karsten : Thermodynamic stability, stoichiometry, and electronic structure of bcc-In2O3 surfaces, Phys. Rev. B, 84 (045311) pp. 1-20.

Sopu, Daniel ; Kotakoski, Jani and Albe, Karsten : Finite-size effects in the phonon density of states of nanostructured germanium: A comparative study of nanoparticles, nanocrystals, nanoglasses, and bulk phases, Physical Review B, 83 p. 245416.

Gröting, Melanie; Hayn, Silke and Albe, Karsten, Chemical order and local structure of the lead-free relaxor ferroelectric Na0.5B0.5TiO3, Journal of Solid State Chemistry, 184 (8) pp. 2041-2046.

Li, W N ; Duan, H L ; Albe, K and Weissmueller, J, Line stress of step edges at crystal surfaces, Surf. Sci., 605 (9-10) pp. 947-957.

Schäfer, Jonathan; Stukowski, Alexander and Albe, Karsten, Plastic deformation of nanocrystalline Pd-Au alloys: On the interplay of grain boundary solute segregation, fault energies and grain size, Acta Mater., 59 (8) pp. 2957-2968.

Agoston, Peter and Albe, Karsten, Disordered reconstructions of the reduced SnO2-(110) surface, Surf. Sci., 605 (7-8) pp. 714-722.

Sopu, D; Ritter, Y; Gleiter, H and Albe, K: Deformation behavior of bulk and nanostructured metallic glasses studied via molecular dynamics simulations, In: Phys. Rev. B, 83 (10).

Agoston, Peter; Albe, Karsten; Nieminen, Risto M and Puska, Martti J : Comment on ``Intrinsic n-type Behavior in Transparent Conducting Oxides: A Comparative Hybrid-Functional Study of In2O3, SnO2, and ZnO{''} Reply, Phys. Rev. Lett., 106 (6)

Agoston, Peter and Albe, Karsten : Disordered reconstructions of the reduced SnO2(110) surface, Surface Science, 605 pp. 714-722.

Koerber, Christoph ; Wachau, Andre ; Agoston, Peter ; Albe, Karsten and Klein, Andreas : Self-limited oxygen exchange kinetics at SnO2 surfaces, Phys. Chem. Chem. Phys., 13 (8) pp. 3223-3226.