Published October 1, 2020
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Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations
Description
Dataset of the publication “Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations“, F. Schmidt, A. L. Kozub, T. Biktagirov, C. Eigner, C. Silberhorn, A. Schindlmayr, W. G. Schmidt, and U. Gerstmann, Physical Review Research 2, 043002 (2020) ( https://doi.org/10.1103/PhysRevResearch.2.043002 ). The tar file includes the data on which the plots shown in figures 2, 3, 4, 6, 7, 8, and 9 are based.
Notes
The authors gratefully acknowledge financial support from the Deutsche Forschungsgemeinschaft (DFG) via Sonderforschungsbereich TRR 142, Project No. 231447078, and computational resources provided by the Paderborn Center for Parallel Computing (PC2) and the High Performance Computing Center Stuttgart (HLRS).
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- Is source of
- Journal article: 10.1103/PhysRevResearch.2.043002 (DOI)