Publikationen

Publikationen 2019

Internationale Zeitschriften

P. Wyzga, I. Veremchuk, C. Himcinschi, U. Burkhardt, W. Carrillo-Cabrera, M. Bobnar, C. Hennig, A. Leithe-Jasper, J. Kortus, R. Gumeniuk
Indium thiospinel In_1-x◻_xIn₂S₄ - structural characterization and thermoelectric properties
Dalton Trans 48 (2019)  8350 - 8360

C. Shahi, P. Bhattarai, K. Wagle, B. Santra, S. Schwalbe, T. Hahn, J. Kortus, K. A. Jackson, J. E. Peralta, K. Trepte, S. Lehtola, N. K. Nepal, H. Myneni, B. Neupane, S. Adhikari, A. Ruzsinszky, Y. Yamamoto, T. Baruah, R. R. Zope, J. P. Perdew
Stretched or noded orbital densities and self-interaction correction in density functional theory
J. Chem. Phys. 150 (2019) 174102 (8pp)

W. W. Rudolph and G. Irmer
On the Hydration of Heavy Rare Earth Ions Ho³⁺, Er³⁺, Tm³⁺, Yb³⁺ and Lu³⁺ — A Raman Study
Molecules 24 (2019) 1953 (18pp)

C. Himcinschi, J. Rix, C. Röder, M. Rudolph, M.-M. Yang, D. Rafaja, J. Kortus, M. Alexe
Ferroelastic domain identification in BeFeO₃ crystals using Raman spectroscopy
Scientific Reports 9 (2019) 379 (9pp)

K. Trepte, S. Schwalbe, T. Hahn, J. Kortus, Der-You Kao, Y. Yamamoto, T. Baruah, R. R. Zope, K. P. K. Withanage, J. E. Peralta, K. A. Jackson
Analytic Atomic Gradients in the Fermi-Löwdin Orbital Self-Interaction Correction
Journal of Computational Chemistry 40 (2019) 820 - 825

F. Zimmermann, G. Gärtner, H. Sträter, C. Röder, M. Barchuk, D. Bastin, P. Hofmann, M. Krupinski, T. Mikolajick, J. Heitmann, F. C. Beyer
Green coloring of GaN single crystals introduced by Cr impurity
Journal of Luminescence 207 (2019) 507 - 511

Doktor-, Master-, Bachelorarbeiten

Julia Richter
Application of FLOSIC-DFT to Fe(II) spin crossover complexe
Bachelorarbeit, 31.01.2019