Internationale Zeitschriften

• U. Lehmann, J. Lach, C. Loose, T. Hahn, B. Kersting, J. Kortus
  Binuclear nickel complexes with an edge sharing bis(square-pyramidal) N₃Ni(μ-S₂)NiN₃ core: synthesis, characterization, crystal structure and magnetic properties
  Dalton Trans. 42 (2012) 987 - 996
• J. Lach, A. Jeremies, V. Lozan, C. Loose, T. Hahn, J. Kortus, B. Kersting
  Stabilization of Hypophosphite in the Binding Pocket of a Dinuclear Macrocyclic Complex: Synthesis, Structure, and Properties of [Ni₂L(μ-O₂PH₂)]BPh₄ (L = N₆S₂ Donor Ligand)
  Inorg. Chem. 51 (2012) 12380 - 12388
• U. Pfaff, A. Hildebrandt, D. Schaarschmidt, T. Hahn, S. Liebing, J. Kortus, H. Lang
  Di- and Trifferrocenyl (Hetero)Aromatics: Synthesis, Characterization, (Spectro-)Electrochemistry, and Calculations
  Organometallics 31 (2012) 6761 - 6771
• S. Förster, T. Hahn, C. Loose, Ch. Röder, S. Liebing, W. Seichter, F. Eißmann, J. Kortus, E. Weber 
  Synthesis and characterization of new derivatives of azulene, including experimental and theoretical studies of electronic and spectroscopic behavior
  J. Phys. Org. Chem. 25 (2012) 856 - 863
• A. G. Milekhin, N. A. Yeryukov, L. Sveshnikova, T. A. Duda, S. S. Kosolobov, A.V . Latyshev, N. V. Surovtsev, S. V. Adichtchev, C. Himcinschi, 
  E. I. Zenkevich, W.-B. Jian, D. R. T. Zahn 
  Raman scattering for probing semiconductor nanocrystal arrays with a low areal density 
  J. Phys. Chem. C 116 (2012) 17164 – 17168
• S. Lindner, M. Knupfer, R. Friedrich, T. Hahn, J. Kortus
  Hybrid states and charge transfer at a phthalocyanine heterojunction: MnPc^{δ +}/F₁₆CoPc^{δ -} 
  Phys. Rev. Lett. 109 (2012) 027601-1 - 027601-5
• J. Lach, T. Hahn, B. Kersting, J. Kortus
  Preparation and characterisation of dinuclear Nickel(II) complexes containing N₃Ni(µ_1,3-SO₃R)₂(µ-O₂CR)NiN₃ cores: crystal structures and 
  magnetic properties of [Ni₂(L2)(O₂CCH₃)]BPh₄ and [Ni₂(L2)(O₂CPh)]BPh₄ [H₂L2 = macrocyclic ligand with a N₆(SO₃)₂ donor set] 
  Eur. J. Inorg. Chem. 14 (2012) 2381 - 2388
• J. Kutzner, D. Rafaja, J. Kortus
  On the possibility of a hetero-epitaxial Fe/ZrO₂ interface: a density-functional-theory point of view
  Modelling Simul. Mater. Sci. Eng. 20 (2012) 045011 - 045018
• A. G. Milekhin, N. A. Veryukov, L. L. Sveshnikova, T. A. Duda, C. Himcinschi, E. I. Zenkevich, D. R. T. Zahn
  Resonant Raman scattering of ZnS, ZnO, and ZnS/ZnO core/shell quantum dots
  Appl. Phys. A 107 (2012) 275 - 278
• W. W. Rudolph and G. Irmer
  Raman spectroscopic studies and DFT calculations on tribromoacetic acid and tribromoacetic acid-d
  Spectrochimica Acta 90 (2012) 165 - 172
• R. Friedrich, T. Hahn, J. Kortus, M. Fronk, F. Haidu, G. Salvan, D. R. T. Zahn, M. Schlesinger, M. Mehring, F. Roth, B. Mahns, M. Knupfer
  Electronic states and the influence of oxygen addition on the optical absorption behaviour of manganese phthalocyanine
  J. Chem. Phys. 136 (2012) 064704-1 - 064704-8
• G. Lukin, C. Röder, E. Niederschlag, Y. Shashev, U. Mühle, O. Pätzold, J. Kortus, D. Rafaja, and M. Stelter
  Nucleation of GaN on sapphire substrates at intermediate temperatures by Hydride Vapor Phase Epitaxy
  Cryst. Res. Technol. (2012) 1 - 10
• A. Talkenberger, C. Himcinschi, T. Weißbach, K. Vijayanandhini, I. Vrejoiu, Ch. Röder, D. Rafaja, J. Kortus
  Raman spectroscopic and X-ray diffraction investigations of epitaxial BiCrO3 thin films
  Thin Solid Films 520 (2012) 4590 - 4594

Proceedings

• T. Nestler, S. Haas, R. Otto, F. Schneider, S.G. Hickey, S. Gabriel, C. Himcinschi, V. Klemm, G. Schreiber, and J. Heitmann
  Low-band gap nanoparticles embedded in high-K dielectrics
  Conference on Optoelectronic and Microelectronic Materials and Devices, Proceedings, COMMAD 2012, Article number 6472391, Pages 123-124
• C. Loose, T. Hahn, J. Kortus, J. Lach, B. Kersting 
  Magnetic and transport properties of a series of dinuclear Nickel(II) complexes
  (MA 20.63) DPG conference Berlin, March 25th to 30th 2012
  Verhandl. DPG (2012) (Poster)
• Th. Gruber and J. Kortus 
  Current theoretical investigations of Li_xSi as electrode materials in Li-Ion-Batteries
  (MM 39.2) DPG conference Berlin, March 25th to 30th 2012
  Verhandl. DPG (2012) (Vortrag)
• S. Liebing, T. Hahn, N. Seidel, T. Ludwig, J. Kortus 
  Transport properties of novel Anthraquinone based molecular switches
  (MA 52.41) DPG conference Berlin, March 25th to 30th 2012
  Verhandl. DPG (2012) (Poster)
• A. Talkenberger, C. Himcinschi, K. Vijayanandhini, D. Rafaja, I. Vrejoiu, T. Weißbach, Ch. Röder, J. Kortus 
  Substrate influence on the strain in epitaxially grown BiCrO$_{3}$ thin films investigated using Raman spectroscopy and X-ray diffraction
  (MA 19.1) DPG conference Berlin, March 25th to 30th 2012
  Verhandl. DPG (2012) (Vortrag)
• Ch. Röder, F. Lipski, C. Himcinschi, J. Kortus, F. Scholz 
  Raman spectroscopic characterization of freestanding GaN layers
  (HL 4.7) DPG conference Berlin, March 25th to 30th 2012
  Verhandl. DPG (2012) (Vortrag)
• C. Himcinschi, I. Vrejoiu, A. Talkenberger 
  Raman spectroscopic investigations of CoFe₂O₄ and NiFe₂O₄ epitaxial sub-micron structures
  (DF13.12) DPG conference Berlin, March 25th to 30th 2012
  Verhandl. DPG (2012) (Poster)
• S. Bahmann, Th. Gruber, J. Kortus 
  An evolution strategy for crystal structure prediction
  (MM8.2) DPG conference Berlin, March 25th to 30th 2012
  Verhandl. DPG (2012) (Vortrag)
• R. Friedrich, T. Hahn, J. Kortus F. Haidu, M. Fronk, G. Salvan, B. Mahns, M. Knupfer 
  Uncovering the electronic structure of manganese phtholocyanine
  (MA44.9) DPG conference Berlin, March 25th to 30th 2012
  Verhandl. DPG (2012) (Vortrag)
• S. Lamowski, T. Weißbach, J. Kortus 
  On the Interpretation of ELNES - Spectra in the Al_1-xTi_xN-System 
  (MM17.40) DPG conference Berlin, March 25th to 30th 2012
  Verhandl. DPG (2012) (Poster)
• St. Schmerler and J. Kortus 
  Heat capacity of aluminum nitride phases from ab initio calculations 
  (MM17.50) DPG conference Berlin, March 25th to 30th 2012
  Verhandl. DPG (2012) (Poster)
• T. Hahn and T. Ludwig 
  Simulation of STM images and STS spectra of Metal-Phthalocyanine molecules on different substrates - comparing the DFT/NEGF and QME approach
  (MA52.42) DPG conference Berlin, March 25th to 30th 2012
  Verhandl. DPG (2012) (Poster)
• T. Weißbach, S. Schwalbe, J. Kutzner, J. Kortus 
  Is the epsilon-phase in deformed autenitic steel just an accumulation of stacking faults?
  (MM17.53) DPG conference Berlin, March 25th to 30th 2012
  Verhandl. DPG (2012) (Poster)
• R. Friedrich
  Theoretical investigation of manganese phthalocyanine on Au(111)
  CECAM/Psi-k-Workshop, Quantum transport in moecular nanostructures
  Dublin, Irland, 22.-25.05.2012 (Poster)
• S. Liebing, T. Hahn, N. Seidel, T. Ludwig, J. Kortus
  Transport properties of novel Anthraquinone based molecular switches
  FunMol2012, "Functional Molecules on Surfaces: New Building Blocks for Nanospintronics"
  Bonn, (GSI), 02.-04.10.2012 (Poster)
• R. Friedrich
  Density Functional Investigation of a Phthalocyanine Based Spin Transfer Material 
  FunMol2012, "Functional Molecules on Surfaces: New Building Blocks for Nanospintronics"
  Bonn, (GSI), 02.-04.10.2012 (Poster)

Bachelor-/Diplom-/Masterarbeiten

• Tobias Birnbaum
  On the theory models and the T-dependence of symmetry forbidden transitions
  Bachelorarbeit, 27.11.2012
• Rico Friedrich
  Density Functional Investigation of a Phthalocyanine Based Spin Transfer Material
  Masterarbeit, 08.10.2012
• Johannes Paul
  Ramanspektroskopische Untersuchungen an multiferroischen BiCrO₃-Schichten
  Bachelorarbeit, 13.09.2012
• Johannes Ocker
  Modellierung von SONOS-Transistoren für den Entwurf von Flash-Speichern in Sub-Mikrometer-Technologien
  Diplomarbeit, 08.08.2012
• Marian Dominik Schneider
  Bestimmung von Oberflächenenergien mittels DFT-Rechnungen
  Bachelorarbeit, 08.03.2012
• Sebastian Schwalbe
  Berechnungen von Stapelfehlerenergien in Eisen-Mischkristallen
  Bachelorarbeit, 06.01.2012