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78 Publications
2016 | Journal Article | LibreCat-ID: 13479
Lücke, Andreas, et al. “Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles.” The Journal of Physical Chemistry B, vol. 120, 2016, pp. 5572–80, doi:10.1021/acs.jpcb.6b03598.
LibreCat
| DOI
2016 | Journal Article | LibreCat-ID: 13487
Witte, M., et al. “Density Functional Theory of the CuA-like Cu2S2 Diamond Core in Cu 2II(NGuaS)2Cl2.” Journal of Computational Chemistry, vol. 37, 2016, pp. 1005–18, doi:10.1002/jcc.24289.
LibreCat
| DOI
2015 | Journal Article | LibreCat-ID: 13493
Müllegger, Stefan, et al. “Mechanism for Nuclear and Electron Spin Excitation by Radio Frequency Current.” Physical Review B, vol. 92, no. 22, 2015, doi:10.1103/physrevb.92.220418.
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| DOI
2015 | Journal Article | LibreCat-ID: 13500
Lücke, A., et al. “Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT.” The Journal of Physical Chemistry B, vol. 119, 2015, pp. 6481–91, doi:10.1021/acs.jpcb.5b03615.
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| DOI
2015 | Journal Article | LibreCat-ID: 13502
Klein, C., et al. “Barrier-Free Subsurface Incorporation of 3d Metal Atoms into Bi(111) Films.” Physical Review B, vol. 91, no. 19, 2015, doi:10.1103/physrevb.91.195441.
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| DOI
2014 | Journal Article | LibreCat-ID: 13513
Gerstmann, Uwe, et al. “Rashba Splitting and Relativistic Energy Shifts in In/Si(111) Nanowires.” Physical Review B, vol. 89, no. 16, 2014, doi:10.1103/physrevb.89.165431.
LibreCat
| DOI
2013 | Book Chapter | LibreCat-ID: 18475
Riefer, Arthur, et al. “Lithium Niobate Dielectric Function and Second-Order Polarizability Tensor from Massively Parallel Ab Initio Calculations.” High Performance Computing in Science and Engineering ‘13, edited by Wolfgang E. Nagel et al., Springer, 2013, pp. 93–104, doi:10.1007/978-3-319-02165-2_8.
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| DOI
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2012 | Journal Article | LibreCat-ID: 13820
Schmidt, Wolf Gero, et al. “In-Si(111)(4 × 1)/(8 × 2) Nanowires: Electron Transport, Entropy, and Metal-Insulator Transition.” Physica Status Solidi (B), vol. 249, no. 2, 2012, pp. 343–59, doi:10.1002/pssb.201100457.
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| DOI
2011 | Journal Article | LibreCat-ID: 13566
Hoehne, Felix, et al. “Electrically Detected Electron-Spin-Echo Envelope Modulation: A Highly Sensitive Technique for Resolving Complex Interface Structures.” Physical Review Letters, vol. 106, no. 19, 2011, doi:10.1103/physrevlett.106.196101.
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| DOI
2011 | Journal Article | LibreCat-ID: 13567
Konopka, A., et al. “Microscopic Structure and Energy Transfer of Vacancy-Related Defect Pairs with Erbium in Wide-Gap Semiconductors.” Optical Materials, vol. 33, 2011, pp. 1041–44, doi:10.1016/j.optmat.2010.12.005.
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| DOI
2010 | Journal Article | LibreCat-ID: 13574
Gerstmann, Uwe, et al. “Ab Initiog-Tensor Calculation for Paramagnetic Surface States: Hydrogen Adsorption at Si Surfaces.” Physica Status Solidi (C), vol. 7, no. 2, 2010, pp. 157–60, doi:10.1002/pssc.200982462.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13656
Bihler, C., et al. “Manganese-Hydrogen Complexes InGa1−xMnxN.” Physical Review B, vol. 80, no. 20, 2010, doi:10.1103/physrevb.80.205205.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13835
Scholle, A., et al. “Magnetic Characterization of Conductance Electrons in GaN.” Physica Status Solidi (B), vol. 247, no. 7, 2010, pp. 1728–31, doi:10.1002/pssb.200983582.
LibreCat
| DOI
2010 | Journal Article | LibreCat-ID: 13837
Scholle, Andreas, et al. “Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC.” Materials Science Forum, vol. 645–648, 2010, pp. 403–06, doi:10.4028/www.scientific.net/msf.645-648.403.
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| DOI
2009 | Journal Article | LibreCat-ID: 13583
Scholle, A., et al. “Vacancy Clusters Created via Room Temperature Irradiation in 6H-SiC.” Physica B: Condensed Matter, vol. 404, 2009, pp. 4742–44, doi:10.1016/j.physb.2009.08.123.
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| DOI
2009 | Journal Article | LibreCat-ID: 13657
Sanna, Simone, et al. “Rare-Earth Defect Pairs in GaN: LDA+U Calculations.” Physical Review B, vol. 80, no. 10, 2009, doi:10.1103/physrevb.80.104120.
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| DOI
2009 | Journal Article | LibreCat-ID: 13802
Giannozzi, Paolo, et al. “QUANTUM ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials.” Journal of Physics: Condensed Matter, vol. 21, no. 39, 395502, 2009, doi:10.1088/0953-8984/21/39/395502.
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| DOI
2009 | Journal Article | LibreCat-ID: 13844
Savchenko, D. V., et al. “Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC.” Materials Science Forum, vol. 615–617, 2009, pp. 343–46, doi:10.4028/www.scientific.net/msf.615-617.343.
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| DOI