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34 Publications


2020 | Journal Article | LibreCat-ID: 19190
Schmidt, Falko, et al. “Free and Defect-Bound (Bi)Polarons in LiNbO3: Atomic Structure and Spectroscopic Signatures from Ab Initio Calculations.” Physical Review Research, vol. 2, no. 4, 043002, American Physical Society, 2020, doi:10.1103/PhysRevResearch.2.043002.
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2019 | Journal Article | LibreCat-ID: 10014
Schmidt, Falko, et al. “Quasiparticle and Excitonic Effects in the Optical Response of KNbO3.” Physical Review Materials, vol. 3, no. 5, 054401, American Physical Society, 2019, doi:10.1103/PhysRevMaterials.3.054401.
LibreCat | Files available | DOI | WoS
 

2019 | Journal Article | LibreCat-ID: 13365
Neufeld, Sergej, et al. “Potassium Titanyl Phosphate (KTP) Quasiparticle Energies and Optical Response.” Journal of Physics: Materials, vol. 2, no. 4, 045003, IOP Publishing, 2019, doi:10.1088/2515-7639/ab29ba.
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2018 | Journal Article | LibreCat-ID: 13410
Friedrich, Michael, et al. “Erratum: Optical Properties of Titanium-Doped Lithium Niobate from Time-Dependent Density-Functional Theory [Phys. Rev. Materials 1, 034401 (2017)].” Physical Review Materials, vol. 2, no. 1, 019902, American Physical Society, 2018, doi:10.1103/PhysRevMaterials.2.019902.
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2018 | Journal Article | LibreCat-ID: 18466
Schindlmayr, Arno. “Exact Formulation of the Transverse Dynamic Spin Susceptibility as an Initial-Value Problem.” Advances in Mathematical Physics, vol. 2018, 3732892, Hindawi, 2018, doi:10.1155/2018/3732892.
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2017 | Journal Article | LibreCat-ID: 10021
Friedrich, Michael, et al. “Optical Properties of Titanium-Doped Lithium Niobate from Time-Dependent Density-Functional Theory.” Physical Review Materials, vol. 1, no. 3, 034401, American Physical Society, 2017, doi:10.1103/PhysRevMaterials.1.034401.
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2017 | Journal Article | LibreCat-ID: 7481
Riefer, Arthur, 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: 10023
Schmidt, Falko, et al. “Consistent Atomic Geometries and Electronic Structure of Five Phases of Potassium Niobate from Density-Functional Theory.” Advances in Materials Science and Engineering, vol. 2017, 3981317, Hindawi, 2017, doi:10.1155/2017/3981317.
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2017 | Journal Article | LibreCat-ID: 13416
Friedrich, Michael, et al. “Polaron Optical Absorption in Congruent Lithium Niobate from Time-Dependent Density-Functional Theory.” Physical Review Materials, vol. 1, no. 5, 054406, American Physical Society, 2017, doi:10.1103/PhysRevMaterials.1.054406.
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2016 | Journal Article | LibreCat-ID: 10024
Riefer, Arthur, et al. “LiNbO3 Electronic Structure: Many-Body Interactions, Spin-Orbit Coupling, and Thermal Effects.” Physical Review B, vol. 93, no. 7, 075205, American Physical Society, 2016, doi:10.1103/PhysRevB.93.075205.
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2016 | Journal Article | LibreCat-ID: 10025
Friedrich, Michael, et al. “LiTaO3 Phonon Dispersion and Ferroelectric Transition Calculated from First Principles.” Physica Status Solidi B, vol. 253, no. 4, Wiley-VCH, 2016, pp. 683–89, doi:10.1002/pssb.201552576.
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2015 | Journal Article | LibreCat-ID: 18470
Bouhassoune, Mohammed, and Arno Schindlmayr. “Ab Initio Study of Strain Effects on the Quasiparticle Bands and Effective Masses in Silicon.” Advances in Condensed Matter Physics, vol. 2015, 453125, Hindawi, 2015, doi:10.1155/2015/453125.
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2015 | Journal Article | LibreCat-ID: 10030
Friedrich, Michael, et al. “Phonon Dispersion and Zero-Point Renormalization of LiNbO3 from Density-Functional Perturbation Theory.” Journal of Physics: Condensed Matter, vol. 27, no. 38, 385402, IOP Publishing, 2015, doi:10.1088/0953-8984/27/38/385402.
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2014 | Book Chapter | LibreCat-ID: 18474
Friedrich, Christoph, and Arno Schindlmayr. “Many-Body Perturbation Theory: The GW Approximation.” Computing Solids: Models, Ab Initio Methods and Supercomputing, edited by Stefan Blügel et al., vol. 74, Forschungszentrum Jülich, 2014, p. A4.1-A4.21.
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2014 | Book Chapter | LibreCat-ID: 18471
Friedrich, Christoph, et al. “Spin Excitations in Solids from Many-Body Perturbation Theory.” First Principles Approaches to Spectroscopic Properties of Complex Materials, edited by Cristiana Di Valentin et al., vol. 347, Springer, 2014, pp. 259–301, doi:10.1007/128_2013_518.
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2014 | Book Chapter | LibreCat-ID: 18472
Schindlmayr, Arno. “The GW Approximation for the Electronic Self-Energy.” Many-Electron Approaches in Physics, Chemistry and Mathematics, edited by Volker Bach and Luigi Delle Site, vol. 29, Springer, 2014, pp. 343–57, doi:10.1007/978-3-319-06379-9_19.
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2014 | Journal Article | LibreCat-ID: 18473
Yanagisawa, Susumu, et al. “Theoretical Investigation of the Band Structure of Picene Single Crystals within the GW Approximation.” Japanese Journal of Applied Physics, vol. 53, no. 5S1, 05FY02, IOP Publishing and The Japan Society of Applied Physics, 2014, doi:10.7567/jjap.53.05fy02.
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2013 | Journal Article | LibreCat-ID: 13525
Riefer, Arthur, et al. “Optical Response of Stoichiometric and Congruent Lithium Niobate from First-Principles Calculations.” Physical Review B, vol. 87, no. 19, 195208, American Physical Society, 2013, doi:10.1103/PhysRevB.87.195208.
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2013 | Journal Article | LibreCat-ID: 18479
Schindlmayr, Arno. “Analytic Evaluation of the Electronic Self-Energy in the GW Approximation for Two Electrons on a Sphere.” Physical Review B, vol. 87, no. 7, 075104, American Physical Society, 2013, doi:10.1103/PhysRevB.87.075104.
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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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2013 | Journal Article | LibreCat-ID: 18476
Yanagisawa, Susumu, et al. “HOMO Band Dispersion of Crystalline Rubrene: Effects of Self-Energy Corrections within the GW Approximation.” Physical Review B, vol. 88, no. 11, 115438, American Physical Society, 2013, doi:10.1103/PhysRevB.88.115438.
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2012 | Journal Article | LibreCat-ID: 18542
Friedrich, Christoph, et al. “Hybrid Functionals and GW Approximation in the FLAPW Method.” Journal of Physics: Condensed Matter, vol. 24, no. 29, 293201, IOP Publishing, 2012, doi:10.1088/0953-8984/24/29/293201.
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2011 | Journal Article | LibreCat-ID: 4091
Wand, Mathias, et al. “Simulation of the Ultrafast Nonlinear Optical Response of Metal Slabs.” Physica Status Solidi B, vol. 248, no. 4, Wiley-VCH, 2011, pp. 887–91, doi:10.1002/pssb.201001219.
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2011 | Conference Paper | LibreCat-ID: 4048
Wand, Mathias, et al. “Theoretical Approach to the Ultrafast Nonlinear Optical Response of Metal Slabs.” CLEO:2011 - Laser Applications to Photonic Applications , JTuI59, Optical Society of America, 2011, doi:10.1364/CLEO_AT.2011.JTuI59.
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2010 | Book Chapter | LibreCat-ID: 18549
Schindlmayr, Arno, et al. “First-Principles Calculation of Electronic Excitations in Solids with SPEX.” Modern and Universal First-Principles Methods for Many-Electron Systems in Chemistry and Physics, edited by Franz Michael Dolg, vol. 3, Oldenbourg, 2010, pp. 67–78, doi:10.1524/9783486711639.67.
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2010 | Journal Article | LibreCat-ID: 18557
Schindlmayr, Arno, et al. “First-Principles Calculation of Electronic Excitations in Solids with SPEX.” Zeitschrift Für Physikalische Chemie, vol. 224, no. 3–4, Oldenbourg, 2010, pp. 357–68, doi:10.1524/zpch.2010.6110.
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2010 | Journal Article | LibreCat-ID: 18560
Şaşıoğlu, Ersoy, et al. “Wannier-Function Approach to Spin Excitations in Solids.” Physical Review B, vol. 81, no. 5, 054434, American Physical Society, 2010, doi:10.1103/PhysRevB.81.054434.
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2010 | Journal Article | LibreCat-ID: 18558
Friedrich, Christoph, et al. “Efficient Implementation of the GW Approximation within the All-Electron FLAPW Method.” Physical Review B, vol. 81, no. 12, 125102, American Physical Society, 2010, doi:10.1103/PhysRevB.81.125102.
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2010 | Journal Article | LibreCat-ID: 13573
Thierfelder, Christian, et al. “Do We Know the Band Gap of Lithium Niobate?” Physica Status Solidi C, vol. 7, no. 2, Wiley-VCH, 2010, pp. 362–65, doi:10.1002/pssc.200982473.
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2010 | Journal Article | LibreCat-ID: 18562
Bouhassoune, Mohammed, and Arno Schindlmayr. “Electronic Structure and Effective Masses in Strained Silicon.” Physica Status Solidi C, vol. 7, no. 2, Wiley-VCH, 2010, pp. 460–63, doi:10.1002/pssc.200982470.
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2009 | Conference Paper | LibreCat-ID: 18634
Schindlmayr, Arno. “Optical Conductivity of Metals from First Principles.” Theoretical and Computational Nanophotonics: Proceedings of the 2nd International Workshop, edited by Dmitry N. Chigrin, vol. 1176, no. 1, American Institute of Physics, 2009, pp. 157–59, doi:10.1063/1.3253897.
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2009 | Journal Article | LibreCat-ID: 18636
Friedrich, Christoph, et al. “Efficient Calculation of the Coulomb Matrix and Its Expansion around K=0 within the FLAPW Method.” Computer Physics Communications, vol. 180, no. 3, Elsevier, 2009, pp. 347–59, doi:10.1016/j.cpc.2008.10.009.
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2009 | Journal Article | LibreCat-ID: 18632
Feste, Sebastian F., et al. “Measurement of Effective Electron Mass in Biaxial Tensile Strained Silicon on Insulator.” Applied Physics Letters, vol. 95, no. 18, 182101, American Institute of Physics, 2009, doi:10.1063/1.3254330.
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2008 | Journal Article | LibreCat-ID: 18564
Freysoldt, Christoph, et al. “Screening in Two Dimensions: GW Calculations for Surfaces and Thin Films Using the Repeated-Slab Approach.” Physical Review B, vol. 77, no. 23, 235428, American Physical Society, 2008, doi:10.1103/PhysRevB.77.235428.
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