Publications 2014
Physical constraints for the Stoneham model for light-dependent magnetoreception. / Espigulé-Pons, Jofre (Corresponding author); Goetz, Christoph; Vaziri, Alipasha; Arndt, Markus.
In: arXiv, 23.12.2014.Research output: Contribution to journal › Article
Tunable ferroelectric polarization and its interplay with spin–orbit coupling in tin iodide perovskites. / Stroppa, Alessandro (Corresponding author); Di Sante, Domenico; Barone, Paolo; Bokdam, Menno; Kresse, Georg; Franchini, Cesare; Whangbo, Myung-Hwan; Picozzi, Silvia.
In: Nature Communications, Vol. 5, 5900, 23.12.2014.Research output: Contribution to journal › Article
Hierarchically Organized Silica–Titania Monoliths Prepared under Purely Aqueous Conditions. / Flaig, Sylvia; Akbarzadeh, Johanna; Dolcet, Paolo; Gross, Silvia; Peterlik, Herwig; Hüsing, Nicola (Corresponding author).
In: Chemistry: A European Journal, Vol. 20, No. 52, 22.12.2014, p. 17409–17419.Research output: Contribution to journal › Article
Photofragmentation beam splitters for matter-wave interferometry. / Dörre, Nadine; Rodewald, Jonas; Geyer, Philipp; von Issendorff, Bernd; Haslinger, Philipp; Arndt, Markus.
In: Physical Review Letters, Vol. 113, No. 23, 233001, 01.12.2014.Research output: Contribution to journal › Article
Efficient Handling of Gaussian Charge Distributions: An Application to Polarizable Molecular Models. / Kiss, Peter T.; Sega, Marcello (Corresponding author); Baranyai, Andras.
In: Journal of Chemical Theory and Computation, Vol. 10, No. 12, 12.2014, p. 5513-5519.Research output: Contribution to journal › Article
In situ Raman spectroscopy studies on time-dependent inner tube growth in ferrocene-filled large diameter single-walled carbon nanotubes. / Kharlamova, Marianna V. (Corresponding author); Kramberger, Christian; Saito, Takeshi; Shiozawa, Hidetsugu; Pichler, Thomas.
In: Physica Status Solidi. B: Basic Research, Vol. 251, No. 12, 12.2014, p. 2394-2400.Research output: Contribution to journal › Article
Nondispersive Raman lines in the D-band region for ferrocene functionalized carbon nanotubes. / Kuzmany, H. (Corresponding author); Shi, L.; Pichler, T.; Kramberger, Christian; Chernov, A.; Liu, X.
In: Physica Status Solidi. B: Basic Research, Vol. 251, No. 12, 12.2014, p. 2457-2460.Research output: Contribution to journal › Article
Raman spectroscopy of graphite intercalation compounds : Charge transfer, strain, and electron-phonon coupling in graphene layers. / Chacon-Torres, Julio C. (Corresponding author); Wirtz, Ludger; Pichler, Thomas.
In: Physica Status Solidi. B: Basic Research, Vol. 251, No. 12, 12.2014, p. 2337-2355.Research output: Contribution to journal › Article
The structural evolution of multi-layer graphene stacks in carbon fibers under load at high temperature - A synchrotron radiation study. / Rennhofer, Harald; Puchegger, Stephan; Pabisch, Silvia; Rentenberger, Christian; Li, Chenghao; Siegel, Stefan; Steiger-Thirsfeld, Andreas; Paris, Oskar; Peterlik, Herwig (Corresponding author).
In: Carbon, Vol. 80, 12.2014, p. 373-381.Research output: Contribution to journal › Article
Detecting vapour bubbles in simulations of metastable water. / Gonzalez, Miguel A.; Menzl, Georg; Aragones, Juan L.; Geiger, Philipp; Caupin, Frederic; Abascal, Jose L. F.; Dellago, Christoph (Corresponding author); Valeriani, Chantal.
In: Journal of Chemical Physics, Vol. 141, No. 18, 18C511, 14.11.2014.Research output: Contribution to journal › Article
Synthesis of Highly Fluoroalkyl-Functionalized Oligoporphyrin Systems. / Felix, Lukas; Sezer, Ugur; Arndt, Markus; Mayor, Marcel (Corresponding author).
In: European Journal of Organic Chemistry, Vol. 2014, No. 31, 11.2014, p. 6884-6895.Research output: Contribution to journal › Article
Testing macroscopic realism through high-mass interferometry. / Emary, Clive (Corresponding author); Cotter, J. P.; Arndt, Markus.
In: Physical Review A, Vol. 90, No. 4, 042114, 21.10.2014.Research output: Contribution to journal › Article
Nitrogen controlled iron catalyst phase during carbon nanotube growth. / Bayer, Bernhard C. (Corresponding author); Baehtz, Carsten; Kidambi, Piran R.; Weatherup, Robert S.; Mangler, Clemens; Kotakoski, Jani; Goddard, Caroline J. L.; Caneva, Sabina; Cabrero-Vilatela, Andrea; Meyer, Jannik C.; Hofmann, Stephan.
In: Applied Physics Letters, Vol. 105, No. 14, 143111, 06.10.2014.Research output: Contribution to journal › Article
Band alignment of semiconductors from density-functional theory and many-body perturbation theory. / Hinuma, Yoyo; Grüneis, Andreas; Kresse, Georg; Oba, Fumiyasu.
In: Physical Review B, Vol. 90, No. 15, 155405, 03.10.2014.Research output: Contribution to journal › Article
Folding mechanism of a polymer chain with short-range attractions. / Leitold, Christian; Dellago, Christoph.
In: Journal of Chemical Physics, Vol. 141, No. 13, 134901, 01.10.2014.Research output: Contribution to journal › Article
Silicon-Carbon Bond Inversions Driven by 60-keV Electrons in Graphene. / Susi, Toma (Corresponding author); Kotakoski, Jani; Kepaptsoglou, Demie; Mangler, Clemens; Lovejoy, Tracy C.; Krivanek, Ondrej L.; Zan, Recep; Bangert, Ursel; Ayala, Paola; Meyer, Jannik C.; Ramasse, Quentin.
In: Physical Review Letters, Vol. 113, No. 11, 115501, 11.09.2014.Research output: Contribution to journal › Article
Small and Large Polarons in TiO2 Rutile and anatase. / Setvin, Martin; Franchini, Cesare; Hao, Xianfeng; Daniel, B.; Schmid, Michael A.; Kresse, Georg; Diebold, Ulrike.
2014.Research output: Working paper
Structural and magnetic properties of supramolecular magnetic filaments. / Sánchez, Pedro A.; Cerdà, Juan J.; Sintes, Tomas M.; Kantorovich, Sofia; Ivanov, Alexey O.
2014. Poster session presented at CECAM Workshop, "Physics of colloidal particles with heterogeneously patterned surfaces", Vienna, Austria.Research output: Contribution to conference › Poster
Stabilizing Single Ni Adatoms on a Two-Dimensional Porous Titania Overlayer at the SrTiO3(110) Surface. / Wang, Zhiming (Corresponding author); Hao, Xianfeng; Gerhold, Stefan; Mares, Petr; Wagner, Margareta; Bliem, Roland; Schulte, Karina; Schmid, Michael; Franchini, Cesare; Diebold, Ulrike (Corresponding author).
In: The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces), Vol. 118, No. 34, 28.08.2014, p. 19904-19909.Research output: Contribution to journal › Article
Cubic scaling algorithm for the random phase approximation: Self-interstitials and vacancies in Si. / Kaltak, Merzuk; Klimes, Jiri; Kresse, Georg (Corresponding author).
In: Physical Review B, Vol. 90, No. 5, 054115, 25.08.2014.Research output: Contribution to journal › Article