Publikationen 2016

Publikationen 2016

Internationale Zeitschriften


S. Schwalbe, R. Wirnata, R. Starke, G. A. H. Schober, J. Kortus
Ab initio electronic structure and optical conductivity of bismuth tellurohilides
Phys. Rev. B 94 (2016) 205130 (7pp)

U. Kempe, M. Trinkler, A. Pöppl, C. Himcinschi
Coloration of natural zircon
The Canadian Mineralogist 54 (2016) 635-660

F. Rückert, B. Mahns, E. Dodbiba, V. Nikolis, M. Herzig, B. Büchner, M. Knupfer, T. Hahn, J. Kortus
Electronic properties of the charge transfer material MnPc/F4TCNQ
J. Chem. Phys. 145 (2016) 114702

P. F. Siles, T. Hahn, G. Savan, M. Knupfer, F. Zhu, D. R. T. Zahn, O. G. Schmidt
Tunable charge transfer properties in metal-phthalocyanine heterojunctions
Nanoscale 8 (2016)  8607 -8617

G. Irmer
Theoretische Grundlagen und ein Programm zur Beurteilung des Schwingungsverhaltens von Vermessungskreiseln
Markscheidewesen 123 (2016) 13 - 23

G. Irmer, C. Röder, C. Himcinschi, J. Kortus
Nonlinear optical coefficients of wurtzite-type α-GaN determined by Raman spectroscopy
Phys. Rev. B 94 (2016) 195201 (8pp)

R. Starke and G. A. H. Schober 
Relativistic covariance of Ohm's law
Int. J. Mod. Phys. D 25 (2016) 16400101 (12 pp)

C. Popescu, G. Dorcioman, B. Bita, C. Besleaga, I. Zgura, C. Himcinschi, A.C. Popescu 
Fabrication of periodical surface structures by picosecond laser irradiation of carbon thin films: transformation of amorphous carbon in nanographite  
Appl. Surface Sci. 390 (2016) 236 – 243

T. Zienert, L. Amirkhanyan, J. Seidel, R. Wirnata, T. Weissbach, T. Gruber, O. Fabrichnaya, J. Kortus 
Heat capacity of η-AlFe (Fe2Al5) 
Intermetallics 77 (2016) 12 - 22

T. Gruber, S. Bahmann, and J. Kortus 
Metastable structure of Li13Si4
Phys. Rev. B 93 (2016) 144104 (10 pp)

V. Craciun, D. Craciun, G. Socol, S. Behdad, B. Boesl, C. Himcinschi, H. Makino, M. Socol, and D. Simeone
Investigations of Ar ion irradiation effects on nanocrystalline SiC thin films
Appl. Surface Sci. 374 (2016) 339 – 345

I. Vrejoiu, C. Himcinschi, L. Jin, C.-L. Jia, N. Raab, J. Engelmayer, R. Waser, R. Dittmann and P. H. M. van Loosdrecht
Probing orbital ordering in LaVO3 epitaxial films by Raman scattering
APL Mater. 4 (2016) 046103 (10pp)

A.G. Milekhin, L. Sveshnikova, T. Duda, E. Rodyakina, V. Dzhagan, E. Sheremet, O. Gordan, C. Himcinschi, A. Latysheva, D.RT. Zahn
Resonant surface-enhanced Raman scattering by optical phonons in amonolayer of CdSe nanocrystals on Au nanocluster arrays
Appl. Surface Sci. 370 (2016) 410 - 417

S. Schwalbe, K. Trepte, G. Seifert, and J. Kortus
Screening for high-spin metal organic frameworks (MOFs): Density functional theory study on DUT-8(M1,M2) (with Mi=V,...,Cu)
Phys. Chem. Chem. Phys. 18 (2016)  8075 - 8080

C. Himcinschi, E. J. Guo, A. Talkenberger, K. Dörr, and J. Kortus
Influence of piezoelectric strain on the Raman spectra of BiFeO3 films deposited on PMN-PT substrates

Appl. Phys. Lett. 108 (2016) 042902 (5 pp)
 
P. Hofmann, C. Röder, F. Habel, G. Leibiger, F. C. Beyer, G. Gärtner, S. Eichler, and T. Mikolajick
Silicon doping of HVPE GaN bulk-crystals avoiding tensile strain generation
J. Phys. D: Appl. Phys. 49 (2016) 075502 (7 pp)

Doktor-, Master-, Bachelorarbeiten

H. Praveenkumar
First-principles based interatomic potential generation for magnetic Iron
Masterarbeit, 30.11.2016

R. Wirnata
Wave vector dependent linear electromagnetic response functions in materials physics
Masterarbeit, 26.10.2016

L. Fiedler
Benchmarking eines vorkonditionierten Optimierers zur strukturellen Relaxation bei unterschiedlich gebundenen Systemen im Rahmen von electronic structure theory
Bachelorarbeit, 21.10.2016

C. Vogelbusch
Self-interaction correction to electronic structure calculations with density functional theory: Analytical second order derivatives in FLO SIC
Bachelorarbeit, 02.09.2016 

A. Talkenberger
Raman spectroscopic investigations on multiferroic epitaxially grown thin films
Dissertation, 04.03.2016

Proceedings


C. Himcinschi, C. Lu, J. Kortus, M. Alexe
Raman spectroscopic investigations of Sr2IrO4 epitaxial thin films
(DS 12.17) DPG conference Regensburg, March 06 - 11 2016
Verhandl. DPG (2016) (Poster)

C. Röder, G. Irmer, C. Himcinschi, J. Kortus
Nonlinear optical coefficients of III-V semiconductors measured by Raman spectroscopy
(HL 44.10) DPG conference Regensburg, March 06 - 11 2016
Verhandl. DPG (2016) (Vortrag)

A. Tiron, C. Himcinschi, J. Kortus, E. Monaico, I. Tiginyanu
Investigation of the impact of gold nanodots deposited in porous GaP template by Raman Spectroscopy
(HL 36.28) DPG conference Regensburg, March 06 - 11 2016
Verhandl. DPG (2016) (Poster)

S. Liebing, T. Hahn, J. Kortus
Electronic transport properties of polycyclic hydrocarbon and TCNQ derivative based charge transfer dimers
(HL 53.2) DPG conference Regensburg, March 06 - 11 2016
Verhandl. DPG (2016) (Poster)

C. Vogelbusch, L. Fiedler, T. Hahn, J. Kortus
A fast Fermi orbital based self-interaction correction: Analytic 2nd order derivatives
(MM 15.16) DPG conference Regensburg, March 06 - 11 2016
Verhandl. DPG (2016) (Poster)

L. Fiedler, C. Vogelbusch, T. Hahn, J. Kortus
A fast Fermi orbital based self-interaction correction: A preconditioned Conjugate Gradient algorithm
(MM 15.17) DPG conference Regensburg, March 06 - 11 2016
Verhandl. DPG (2016) (Poster)

R. Starke and G. Schober
Microscopic Theory of the Refractive Index
(HL 36.21) DPG conference Regensburg, March 06 - 11 2016
Verhandl. DPG (2016) (Poster)

R. Wirnata, S.Schwalbe, G. Schober, J. Kortus, R. Starke
Theoretical investigation of BiTeX (X=Cl,Br,I): Crystal structure and optical conductivity 
(MM 15.15) DPG conference Regensburg, March 06 - 11 2016
Verhandl. DPG (2016) (Poster)

L. Amirkhanyan and J. Kortus
First-principles investigations on intermetallic є-Al5Fe2 phase
(MM 35.4) DPG conference Regensburg, March 06 - 11 2016
Verhandl. DPG (2016) (Vortrag)

S. Schwalbe, K. Trepte, G. Seifert, J. Kortus
Tunable magnetism in metal organic frameworks
(MA 48.3) DPG conference Regensburg, March 06 - 11 2016
Verhandl. DPG (2016) (Poster)