Publikationen 2019

Internationale Zeitschriften

S. Schwalbe, K. Trepte, L. Fiedler, A. I. Johnson, J. Kraus, T. Hahn, J. E. Peralta, K. A. Jackson, J. Kortus
Interpretation and automatic generation of Fermi-orbital descriptors
J. Comput. Chem. 40 (2019) 2843 - 2857

M. Herms, G. Irmer, G. Kupka, M. Wagner
The Photo-Elastic Constant of Silicon Reviewed in Experiment and Simulation
Phys. Stat. Sol. A 216 (2019) 1900254 (7 pp)

T. Monecke, J. Monecke, T. J. Reynolds
The influence of CO2 on the solubility of quartz in single-phase hydrothermal fluids: Implications for the formation of stockwork veins in porphyry copper deposits
Economic Geology 114 (2019) 1195 - 1206

E. Storti, C. Himcinschi, J. Kortus, C. G. Aneziris
Synthesis and characterization of calcium zirconate nanofibers produced by electrospinning
Journal European Ceramic Society 16  (2019) 5338-5344

E. Zuñiga-Puelles, R. Cardoso-Gil, M. Bobnar, I. Veremchuk, C. Himcinschi, C. Hennig, J. Kortus, G. Heide, R. Gumeniuk
Structural stability and thermoelectric performance of high quality synthetic and natural pyrites (FeS2)
Dalton Trans. 48 (2019) 10703 - 10713

G. Lukin, M. Förste, M. Barchuk, C. Schimpf, C. Röder, F. Zimmermann, E. Niederschlag, O. Pätzold, F. C. Beyer, D. Rafaja, M. Stelter
Heteroepitaxial growth of GaN on sapphire substrates by high temperature vapor phase epitaxy
Journal of Crystal Growth 524 (2019) 125185

P. Wyzga, I. Veremchuk, C. Himcinschi, U. Burkhardt, W. Carrillo-Cabrera, M. Bobnar, C. Hennig, A. Leithe-Jasper, J. Kortus, R. Gumeniuk
Indium thiospinel In1-xxIn2S4 - 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

Simon Brehm
Superoscillations of terahertz phonons in superlattices investigated by asynchronous optical sampling
Masterarbeit, 23.10.2019

Jan Rix
Set-up and test of a Brillouin spectrometer for biomedical applications
Masterarbeit, 30.09.2019

Jakob Kraus
Self-interaction correction applied to molecules in solution
Masterarbeit, 20.09.2019

Jonas Kern
Application of Raman tensor formalism to different crystals
Bachelorarbeit, 19.09.2019

Simon Liebing
Electronic structure and transport in low dimensional systems
Dissertation, 19.07.2019

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