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34 Publications


2020 | Journal Article | LibreCat-ID: 19190
Schmidt, F., Kozub, A., Biktagirov, T., Eigner, C., Silberhorn, C., Schindlmayr, A., … 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). https://doi.org/10.1103/PhysRevResearch.2.043002
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2019 | Journal Article | LibreCat-ID: 10014
Schmidt, F., Riefer, A., Schmidt, W. G., Schindlmayr, A., Imlau, M., Dobener, F., … Sanna, S. (2019). Quasiparticle and excitonic effects in the optical response of KNbO3. Physical Review Materials, 3(5). https://doi.org/10.1103/PhysRevMaterials.3.054401
LibreCat | Files available | DOI | WoS
 

2019 | Journal Article | LibreCat-ID: 13365
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(4). https://doi.org/10.1088/2515-7639/ab29ba
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2018 | Journal Article | LibreCat-ID: 13410
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
LibreCat | Files available | DOI | WoS
 

2018 | Journal Article | LibreCat-ID: 18466
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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2017 | Journal Article | LibreCat-ID: 10021
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: 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
LibreCat | Files available | DOI | WoS | PubMed | Europe PMC
 

2017 | Journal Article | LibreCat-ID: 10023
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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2017 | Journal Article | LibreCat-ID: 13416
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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2016 | Journal Article | LibreCat-ID: 10024
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
LibreCat | Files available | DOI | WoS
 

2015 | Journal Article | LibreCat-ID: 18470
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. https://doi.org/10.1155/2015/453125
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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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2014 | Book Chapter | LibreCat-ID: 18474
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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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
LibreCat | Files available | DOI | WoS
 

2013 | Journal Article | LibreCat-ID: 13525
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
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). https://doi.org/10.1103/PhysRevB.87.075104
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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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