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43 Publications


2024 | Journal Article | LibreCat-ID: 52723
Meyer, M. T., & Schindlmayr, A. (n.d.). Derivation of Miller’s rule for the nonlinear optical susceptibility of a quantum anharmonic oscillator. Journal of Physics B: Atomic, Molecular and Optical Physics. https://doi.org/10.1088/1361-6455/ad369c
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2022 | Book Chapter | LibreCat-ID: 30288
Schmidt, F., Kozub, A. L., Gerstmann, U., Schmidt, W. G., & Schindlmayr, A. (2022). Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response. In G. Corradi & L. Kovács (Eds.), New Trends in Lithium Niobate: From Bulk to Nanocrystals (pp. 231–248). MDPI. https://doi.org/10.3390/books978-3-0365-3339-1
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2022 | Journal Article | LibreCat-ID: 26627 | OA
Neufeld, S., Schindlmayr, A., & Schmidt, W. G. (2022). Quasiparticle energies and optical response of RbTiOPO4 and KTiOAsO4. Journal of Physics: Materials, 5(1), Article 015002. https://doi.org/10.1088/2515-7639/ac3384
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2022 | Book Chapter | LibreCat-ID: 29808
Schindlmayr, A. (2022). Programmierung und Computersimulationen. In J. Gerick, A. Sommer, & G. Zimmermann (Eds.), Kompetent Prüfungen gestalten: 60 Prüfungsformate für die Hochschullehre (2nd ed., pp. 270–274). Waxmann. https://doi.org/10.36198/9783838558592
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2022 | Journal Article | LibreCat-ID: 44088 | OA
Schmidt, F., Kozub, A. L., Gerstmann, U., Schmidt, W. G., & Schindlmayr, A. (2022). A density-functional theory study of hole and defect-bound exciton polarons in lithium niobate. Crystals, 12(11), Article 1586. https://doi.org/10.3390/cryst12111586
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2021 | Journal Article | LibreCat-ID: 21946 | OA
Schmidt, F., Kozub, A. L., Gerstmann, U., Schmidt, W. G., & Schindlmayr, A. (2021). Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response. Crystals, 11, 542. https://doi.org/10.3390/cryst11050542
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2021 | Journal Article | LibreCat-ID: 22960 | OA
Bidaraguppe Ramesh, N., Schmidt, F., & Schindlmayr, A. (2021). Lattice parameters and electronic band gap of orthorhombic potassium sodium niobate K0.5Na0.5NbO3 from density-functional theory. The European Physical Journal B, 94(8), Article 169. https://doi.org/10.1140/epjb/s10051-021-00179-8
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2021 | Journal Article | LibreCat-ID: 22761 | OA
Friedrich, C., Blügel, S., & Schindlmayr, A. (2021). Erratum: Efficient implementation of the GW approximation within the all-electron FLAPW method [Phys. Rev. B 81, 125102 (2010)]. Physical Review B, 104(3), Article 039901. https://doi.org/10.1103/PhysRevB.104.039901
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2021 | Journal Article | LibreCat-ID: 23418 | OA
Kozub, A. L., Schindlmayr, A., Gerstmann, U., & Schmidt, W. G. (2021). Polaronic enhancement of second-harmonic generation in lithium niobate. Physical Review B, 104, 174110. https://doi.org/10.1103/PhysRevB.104.174110
LibreCat | Files available | DOI | WoS | arXiv
 

2020 | Journal Article | LibreCat-ID: 19190 | OA
Schmidt, F., Kozub, A. L., Biktagirov, T., Eigner, C., Silberhorn, C., Schindlmayr, A., Schmidt, W. G., & Gerstmann, U. (2020). Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations. Physical Review Research, 2(4), Article 043002. https://doi.org/10.1103/PhysRevResearch.2.043002
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2019 | Journal Article | LibreCat-ID: 10014 | OA
Schmidt, F., Riefer, A., Schmidt, W. G., Schindlmayr, A., Imlau, M., Dobener, F., Mengel, N., Chatterjee, S., & Sanna, S. (2019). Quasiparticle and excitonic effects in the optical response of KNbO3. Physical Review Materials, 3(5), Article 054401. https://doi.org/10.1103/PhysRevMaterials.3.054401
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2019 | Journal Article | LibreCat-ID: 13365 | OA
Neufeld, S., Bocchini, A., Gerstmann, U., Schindlmayr, A., & Schmidt, W. G. (2019). Potassium titanyl phosphate (KTP) quasiparticle energies and optical response. Journal of Physics: Materials, 2, 045003. https://doi.org/10.1088/2515-7639/ab29ba
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2018 | Journal Article | LibreCat-ID: 18466 | OA
Schindlmayr, A. (2018). Exact formulation of the transverse dynamic spin susceptibility as an initial-value problem. Advances in Mathematical Physics, 2018. https://doi.org/10.1155/2018/3732892
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2018 | Journal Article | LibreCat-ID: 13410 | OA
Friedrich, M., Schmidt, W. G., Schindlmayr, A., & Sanna, S. (2018). Erratum: Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory [Phys. Rev. Materials 1, 034401 (2017)]. Physical Review Materials, 2(1). https://doi.org/10.1103/PhysRevMaterials.2.019902
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2017 | Journal Article | LibreCat-ID: 7481
Riefer, A., Weber, N., Mund, J., Yakovlev, D. R., Bayer, M., Schindlmayr, A., … Schmidt, W. G. (2017). Zn–VI quasiparticle gaps and optical spectra from many-body calculations. Journal of Physics: Condensed Matter, 29(21). https://doi.org/10.1088/1361-648x/aa6b2a
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2017 | Journal Article | LibreCat-ID: 13416 | OA
Friedrich, M., Schmidt, W. G., Schindlmayr, A., & Sanna, S. (2017). Polaron optical absorption in congruent lithium niobate from time-dependent density-functional theory. Physical Review Materials, 1(5). https://doi.org/10.1103/PhysRevMaterials.1.054406
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2017 | Journal Article | LibreCat-ID: 10021 | OA
Friedrich, M., Schmidt, W. G., Schindlmayr, A., & Sanna, S. (2017). Optical properties of titanium-doped lithium niobate from time-dependent density-functional theory. Physical Review Materials, 1(3). https://doi.org/10.1103/PhysRevMaterials.1.034401
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2017 | Journal Article | LibreCat-ID: 10023 | OA
Schmidt, F., Landmann, M., Rauls, E., Argiolas, N., Sanna, S., Schmidt, W. G., & Schindlmayr, A. (2017). Consistent atomic geometries and electronic structure of five phases of potassium niobate from density-functional theory. Advances in Materials Science and Engineering, 2017. https://doi.org/10.1155/2017/3981317
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2016 | Journal Article | LibreCat-ID: 10024 | OA
Riefer, A., Friedrich, M., Sanna, S., Gerstmann, U., Schindlmayr, A., & Schmidt, W. G. (2016). LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling, and thermal effects. Physical Review B, 93(7). https://doi.org/10.1103/PhysRevB.93.075205
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2016 | Journal Article | LibreCat-ID: 10025
Friedrich, M., Schindlmayr, A., Schmidt, W. G., & Sanna, S. (2016). LiTaO3 phonon dispersion and ferroelectric transition calculated from first principles. Physica Status Solidi B, 253(4), 683–689. https://doi.org/10.1002/pssb.201552576
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2015 | Journal Article | LibreCat-ID: 10030
Friedrich, M., Riefer, A., Sanna, S., Schmidt, W. G., & Schindlmayr, A. (2015). Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation theory. Journal of Physics: Condensed Matter, 27(38). https://doi.org/10.1088/0953-8984/27/38/385402
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2015 | Journal Article | LibreCat-ID: 18470 | OA
Bouhassoune, M., & Schindlmayr, A. (2015). Ab initio study of strain effects on the quasiparticle bands and effective masses in silicon. Advances in Condensed Matter Physics, 2015, Article 453125. https://doi.org/10.1155/2015/453125
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2014 | Book Chapter | LibreCat-ID: 18471
Friedrich, C., Şaşıoğlu, E., Müller, M., Schindlmayr, A., & Blügel, S. (2014). Spin excitations in solids from many-body perturbation theory. In C. Di Valentin, S. Botti, & M. Cococcioni (Eds.), First Principles Approaches to Spectroscopic Properties of Complex Materials (Vol. 347, pp. 259–301). Berlin, Heidelberg: Springer. https://doi.org/10.1007/128_2013_518
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2014 | Book Chapter | LibreCat-ID: 18472
Schindlmayr, A. (2014). The GW approximation for the electronic self-energy. In V. Bach & L. Delle Site (Eds.), Many-Electron Approaches in Physics, Chemistry and Mathematics (Vol. 29, pp. 343–357). Cham: Springer. https://doi.org/10.1007/978-3-319-06379-9_19
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2014 | Journal Article | LibreCat-ID: 18473
Yanagisawa, S., Morikawa, Y., & Schindlmayr, A. (2014). Theoretical investigation of the band structure of picene single crystals within the GW approximation. Japanese Journal of Applied Physics, 53(5S1). https://doi.org/10.7567/jjap.53.05fy02
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2014 | Book Chapter | LibreCat-ID: 18474 | OA
Friedrich, C., & Schindlmayr, A. (2014). Many-body perturbation theory: The GW approximation. In S. Blügel, N. Helbig, V. Meden, & D. Wortmann (Eds.), Computing Solids: Models, ab initio Methods and Supercomputing (Vol. 74, p. A4.1-A4.21). Jülich: Forschungszentrum Jülich.
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2013 | Book Chapter | LibreCat-ID: 18475
Riefer, A., Rohrmüller, M., Landmann, M., Sanna, S., Rauls, E., Vollmers, N. J., … Schmidt, W. G. (2013). Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations. In W. E. Nagel, D. H. Kröner, & M. M. Resch (Eds.), High Performance Computing in Science and Engineering ‘13 (pp. 93–104). Cham: Springer. https://doi.org/10.1007/978-3-319-02165-2_8
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2013 | Journal Article | LibreCat-ID: 18476 | OA
Yanagisawa, S., Morikawa, Y., & Schindlmayr, A. (2013). HOMO band dispersion of crystalline rubrene: Effects of self-energy corrections within the GW approximation. Physical Review B, 88(11). https://doi.org/10.1103/PhysRevB.88.115438
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2013 | Journal Article | LibreCat-ID: 13525 | OA
Riefer, A., Sanna, S., Schindlmayr, A., & Schmidt, W. G. (2013). Optical response of stoichiometric and congruent lithium niobate from first-principles calculations. Physical Review B, 87(19). https://doi.org/10.1103/PhysRevB.87.195208
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2013 | Journal Article | LibreCat-ID: 18479 | OA
Schindlmayr, A. (2013). Analytic evaluation of the electronic self-energy in the GW approximation for two electrons on a sphere. Physical Review B, 87(7), Article 075104. https://doi.org/10.1103/PhysRevB.87.075104
LibreCat | Files available | DOI | WoS | arXiv
 

2012 | Journal Article | LibreCat-ID: 18542
Friedrich, C., Betzinger, M., Schlipf, M., Blügel, S., & Schindlmayr, A. (2012). Hybrid functionals and GW approximation in the FLAPW method. Journal of Physics: Condensed Matter, 24(29). https://doi.org/10.1088/0953-8984/24/29/293201
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2011 | Journal Article | LibreCat-ID: 4091
Wand, M., Schindlmayr, A., Meier, T., & Förstner, J. (2011). Simulation of the ultrafast nonlinear optical response of metal slabs. Physica Status Solidi B, 248(4), 887–891. https://doi.org/10.1002/pssb.201001219
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2011 | Conference Paper | LibreCat-ID: 4048
Wand, M., Schindlmayr, A., Meier, T., & Förstner, J. (2011). Theoretical approach to the ultrafast nonlinear optical response of metal slabs. CLEO:2011 - Laser Applications to Photonic Applications , Article JTuI59. Conference on Lasers and Electro-Optics 2011, Baltimore, Maryland, United States. https://doi.org/10.1364/CLEO_AT.2011.JTuI59
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2010 | Book Chapter | LibreCat-ID: 18549
Schindlmayr, A., Friedrich, C., Şaşıoğlu, E., & Blügel, S. (2010). First-principles calculation of electronic excitations in solids with SPEX. In F. M. Dolg (Ed.), Modern and Universal First-Principles Methods for Many-Electron Systems in Chemistry and Physics (Vol. 3, pp. 67–78). München: Oldenbourg. https://doi.org/10.1524/9783486711639.67
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2010 | Journal Article | LibreCat-ID: 18562
Bouhassoune, M., & Schindlmayr, A. (2010). Electronic structure and effective masses in strained silicon. Physica Status Solidi C, 7(2), 460–463. https://doi.org/10.1002/pssc.200982470
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2010 | Journal Article | LibreCat-ID: 13573
Thierfelder, C., Sanna, S., Schindlmayr, A., & Schmidt, W. G. (2010). Do we know the band gap of lithium niobate? Physica Status Solidi C, 7(2), 362–365. https://doi.org/10.1002/pssc.200982473
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2010 | Journal Article | LibreCat-ID: 18560 | OA
Şaşıoğlu, E., Schindlmayr, A., Friedrich, C., Freimuth, F., & Blügel, S. (2010). Wannier-function approach to spin excitations in solids. Physical Review B, 81(5), Article 054434. https://doi.org/10.1103/PhysRevB.81.054434
LibreCat | Files available | DOI | WoS | arXiv
 

2010 | Journal Article | LibreCat-ID: 18557
Schindlmayr, A., Friedrich, C., Şaşıoğlu, E., & Blügel, S. (2010). First-principles calculation of electronic excitations in solids with SPEX. Zeitschrift Für Physikalische Chemie, 224(3–4), 357–368. https://doi.org/10.1524/zpch.2010.6110
LibreCat | Files available | DOI | WoS | arXiv
 

2010 | Journal Article | LibreCat-ID: 18558 | OA
Friedrich, C., Blügel, S., & Schindlmayr, A. (2010). Efficient implementation of the GW approximation within the all-electron FLAPW method. Physical Review B, 81(12), Article 125102. https://doi.org/10.1103/PhysRevB.81.125102
LibreCat | Files available | DOI | WoS | arXiv
 

2009 | Journal Article | LibreCat-ID: 18632 | OA
Feste, S. F., Schäpers, T., Buca, D., Zhao, Q. T., Knoch, J., Bouhassoune, M., … Mantl, S. (2009). Measurement of effective electron mass in biaxial tensile strained silicon on insulator. Applied Physics Letters, 95(18). https://doi.org/10.1063/1.3254330
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2009 | Conference Paper | LibreCat-ID: 18634 | OA
Schindlmayr, A. (2009). Optical conductivity of metals from first principles. In D. N. Chigrin (Ed.), Theoretical and Computational Nanophotonics: Proceedings of the 2nd International Workshop (Vol. 1176, Issue 1, pp. 157–159). American Institute of Physics. https://doi.org/10.1063/1.3253897
LibreCat | Files available | DOI | WoS | arXiv
 

2009 | Journal Article | LibreCat-ID: 18636
Friedrich, C., Schindlmayr, A., & Blügel, S. (2009). Efficient calculation of the Coulomb matrix and its expansion around k=0 within the FLAPW method. Computer Physics Communications, 180(3), 347–359. https://doi.org/10.1016/j.cpc.2008.10.009
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2008 | Journal Article | LibreCat-ID: 18564 | OA
Freysoldt, C., Eggert, P., Rinke, P., Schindlmayr, A., & Scheffler, M. (2008). Screening in two dimensions: GW calculations for surfaces and thin films using the repeated-slab approach. Physical Review B, 77(23), Article 235428. https://doi.org/10.1103/PhysRevB.77.235428
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