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27 Publications
2019 | Journal Article | LibreCat-ID: 13429 | 
Bocchini, Adriana, Sergej Neufeld, Uwe Gerstmann, and Wolf Gero Schmidt. “Oxygen and Potassium Vacancies in KTP Calculated from First Principles.” Journal of Physics: Condensed Matter 31 (2019): 385401. https://doi.org/10.1088/1361-648x/ab295c.
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2017 | Journal Article | LibreCat-ID: 7481
Riefer, Arthur, Nils Weber, Johannes Mund, Dmitri R. Yakovlev, Manfred Bayer, Arno Schindlmayr, Cedrik Meier, and Wolf Gero Schmidt. “Zn–VI Quasiparticle Gaps and Optical Spectra from Many-Body Calculations.” Journal of Physics: Condensed Matter 29, no. 21 (2017). https://doi.org/10.1088/1361-648x/aa6b2a.
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2017 | Journal Article | LibreCat-ID: 13418
Sanna, Simone, and Wolf Gero Schmidt. “LiNbO3 Surfaces from a Microscopic Perspective.” Journal of Physics: Condensed Matter, 2017. https://doi.org/10.1088/1361-648x/aa818d.
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2017 | Journal Article | LibreCat-ID: 13803
Giannozzi, P, O Andreussi, T Brumme, O Bunau, M Buongiorno Nardelli, M Calandra, R Car, et al. “Advanced Capabilities for Materials Modelling with Quantum ESPRESSO.” Journal of Physics: Condensed Matter 29, no. 46 (2017). https://doi.org/10.1088/1361-648x/aa8f79.
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2015 | Journal Article | LibreCat-ID: 10030
Friedrich, Michael, Arthur Riefer, Simone Sanna, Wolf Gero Schmidt, and Arno Schindlmayr. “Phonon Dispersion and Zero-Point Renormalization of LiNbO3 from Density-Functional Perturbation Theory.” Journal of Physics: Condensed Matter 27, no. 38 (2015). https://doi.org/10.1088/0953-8984/27/38/385402.
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2015 | Journal Article | LibreCat-ID: 13922
Liu, Hong, Dirk Florian Heinze, Huynh Thanh Duc, Stefan Schumacher, and Torsten Meier. “Curvature Effects in the Band Structure of Carbon Nanotubes Including Spin–Orbit Coupling.” Journal of Physics: Condensed Matter 27, no. 44 (2015). https://doi.org/10.1088/0953-8984/27/44/445501.
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2015 | Journal Article | LibreCat-ID: 22946
Liu, Hong, Dirk Florian Heinze, Huynh Thanh Duc, Stefan Schumacher, and Torsten Meier. “Curvature Effects in the Band Structure of Carbon Nanotubes Including Spin–Orbit Coupling.” Journal of Physics: Condensed Matter 27, no. 44 (2015). https://doi.org/10.1088/0953-8984/27/44/445501.
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2014 | Journal Article | LibreCat-ID: 13511
Landmann, M, T Köhler, E Rauls, T Frauenheim, and Wolf Gero Schmidt. “The Atomic Structure of Ternary Amorphous TixSi1−xO2hybrid Oxides.” Journal of Physics: Condensed Matter 26 (2014). https://doi.org/10.1088/0953-8984/26/25/253201.
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2013 | Journal Article | LibreCat-ID: 7260
Carrad, D J, A M Burke, P J Reece, R W Lyttleton, D E J Waddington, A Rai, Dirk Reuter, A D Wieck, and A P Micolich. “The Effect of (NH4)2Sxpassivation on the (311)A GaAs Surface and Its Use in AlGaAs/GaAs Heterostructure Devices.” Journal of Physics: Condensed Matter 25, no. 32 (2013). https://doi.org/10.1088/0953-8984/25/32/325304.
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2013 | Journal Article | LibreCat-ID: 4111
Riedl, Thomas, A Kirchner, K Eymann, A Shariq, R Schlesiger, G Schmitz, M Ruhnow, and B Kieback. “Elemental Distribution, Solute Solubility and Defect Free Volume in Nanocrystalline Restricted-Equilibrium Cu–Ag Alloys.” Journal of Physics: Condensed Matter 25, no. 11 (2013). https://doi.org/10.1088/0953-8984/25/11/115401.
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