Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations

Name: Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations
Creator: Silberhorn, Christine; Schmidt, Falko; Gerstmann, Uwe; Eigner, Christof; Kozub, Agnieszka; Schindlmayr, Arno; Biktagirov, Timur; Schmidt, Wolf Gero
Published: 2020-10-01T00:00:00+08:00

Zenodo2020-10-01 更新2026-04-07 收录

第一性原理计算

极化子光谱学

数据链接：

https://zenodo.org/record/5182826 数据链接链接失效反馈

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资源简介：

Dataset of the publication “Free and defect-bound (bi)polarons in LiNbO<sub>3</sub>: 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.

提供机构：

Silberhorn, Christine; Schmidt, Falko; Gerstmann, Uwe; Eigner, Christof; Kozub, Agnieszka; Schindlmayr, Arno; Biktagirov, Timur; Schmidt, Wolf Gero

创建时间：

2020-10-01