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22 Publications


2019 | Journal Article | LibreCat-ID: 13429
Bocchini, Adriana, et al. “Oxygen and Potassium Vacancies in KTP Calculated from First Principles.” Journal of Physics: Condensed Matter, 385401, 2019, doi:10.1088/1361-648x/ab295c.
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2017 | Journal Article | LibreCat-ID: 7481
Riefer, A., et al. “Zn–VI Quasiparticle Gaps and Optical Spectra from Many-Body Calculations.” Journal of Physics: Condensed Matter, vol. 29, no. 21, 215702, IOP Publishing, 2017, doi:10.1088/1361-648x/aa6b2a.
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2017 | Journal Article | LibreCat-ID: 10022
Riefer, A., et al. “Zn–VI Quasiparticle Gaps and Optical Spectra from Many-Body Calculations.” Journal of Physics: Condensed Matter, 215702, 2017, doi: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, 413001, 2017, doi:10.1088/1361-648x/aa818d.
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2017 | Journal Article | LibreCat-ID: 13803
Giannozzi, P., et al. “Advanced Capabilities for Materials Modelling with Quantum ESPRESSO.” Journal of Physics: Condensed Matter, vol. 29, no. 46, 465901, 2017, doi:10.1088/1361-648x/aa8f79.
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2015 | Journal Article | LibreCat-ID: 13817
Friedrich, Michael, et al. “Phonon Dispersion and Zero-Point Renormalization of LiNbO3from Density-Functional Perturbation Theory.” Journal of Physics: Condensed Matter, vol. 27, 385402, 2015, doi:10.1088/0953-8984/27/38/385402.
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2015 | Journal Article | LibreCat-ID: 13922
Liu, Hong, et al. “Curvature Effects in the Band Structure of Carbon Nanotubes Including Spin–Orbit Coupling.” Journal of Physics: Condensed Matter, vol. 27, 445501, 2015, doi:10.1088/0953-8984/27/44/445501.
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2014 | Journal Article | LibreCat-ID: 13511
Landmann, M., et al. “The Atomic Structure of Ternary Amorphous TixSi1−xO2hybrid Oxides.” Journal of Physics: Condensed Matter, vol. 26, 253201, 2014, doi:10.1088/0953-8984/26/25/253201.
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2013 | Journal Article | LibreCat-ID: 7260
Carrad, D. J., et al. “The Effect of (NH4)2Sxpassivation on the (311)A GaAs Surface and Its Use in AlGaAs/GaAs Heterostructure Devices.” Journal of Physics: Condensed Matter, vol. 25, no. 32, 325304, IOP Publishing, 2013, doi:10.1088/0953-8984/25/32/325304.
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2013 | Journal Article | LibreCat-ID: 4111
Riedl, Thomas, et al. “Elemental Distribution, Solute Solubility and Defect Free Volume in Nanocrystalline Restricted-Equilibrium Cu–Ag Alloys.” Journal of Physics: Condensed Matter, vol. 25, no. 11, 115401 (9 pp.), IOP Publishing, 2013, doi:10.1088/0953-8984/25/11/115401.
LibreCat | Files available | DOI
 

2012 | Journal Article | LibreCat-ID: 13545
Landmann, M., et al. “The Electronic Structure and Optical Response of Rutile, Anatase and Brookite TiO2.” Journal of Physics: Condensed Matter, vol. 24, 195503, 2012, doi:10.1088/0953-8984/24/19/195503.
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2012 | Journal Article | LibreCat-ID: 7325
Schuster, J., et al. “Photoluminescence Lineshape Features of Carbon δ-Doped GaAs Heterostructures.” Journal of Physics: Condensed Matter, vol. 24, no. 16, 165801, IOP Publishing, 2012, doi:10.1088/0953-8984/24/16/165801.
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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.
LibreCat | DOI
 

2009 | Journal Article | LibreCat-ID: 13662
Blankenburg, S., and Wolf Gero Schmidt. “Glutamic Acid Adsorbed on Ag(110): Direct and Indirect Molecular Interactions.” Journal of Physics: Condensed Matter, vol. 21, 185001, 2009, doi:10.1088/0953-8984/21/18/185001.
LibreCat | DOI
 

2008 | Journal Article | LibreCat-ID: 4557
Zrenner, Artur, et al. “Coherent Optoelectronics with Single Quantum Dots.” Journal of Physics: Condensed Matter, vol. 20, no. 45, 454210, IOP Publishing, 2008, doi:10.1088/0953-8984/20/45/454210.
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2008 | Journal Article | LibreCat-ID: 13672
Hermann, A., et al. “Theoretical Study of the Localization of Excess Electrons at the Surface of Ice.” Journal of Physics: Condensed Matter, vol. 20, 225003, 2008, doi:10.1088/0953-8984/20/22/225003.
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2008 | Journal Article | LibreCat-ID: 8616
Kaiser, F. J., et al. “Theoretical and Experimental Investigations of Coulomb Blockade in Coupled Quantum Dot Systems.” Journal of Physics: Condensed Matter, 374108, 2008, doi:10.1088/0953-8984/20/37/374108.
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2007 | Journal Article | LibreCat-ID: 8629
Pugžlys, A., et al. “Charge and Spin Dynamics in a Two-Dimensional Electron Gas.” Journal of Physics: Condensed Matter, 295206, 2007, doi:10.1088/0953-8984/19/29/295206.
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2004 | Journal Article | LibreCat-ID: 13712
Schmidt, Wolf Gero, et al. “Oxidation- and Organic-Molecule-Induced Changes of the Si Surface Optical Anisotropy:Ab Initiopredictions.” Journal of Physics: Condensed Matter, vol. 16, 2004, pp. S4323–34, doi:10.1088/0953-8984/16/39/007.
LibreCat | DOI
 

2004 | Journal Article | LibreCat-ID: 13713
Palummo, M., et al. “The Bethe–Salpeter Equation: A First-Principles Approach for Calculating Surface Optical Spectra.” Journal of Physics: Condensed Matter, vol. 16, 2004, pp. S4313–22, doi:10.1088/0953-8984/16/39/006.
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