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Replication Data for: The infrared optical properties of ytterbium disilicate
Jun 10, 2026
Riffe, William; Zare, Saman; Caratenuto, Andrew; Deijkers, Jeroen; Balachandran, Prasanna; Clarke, David; Hopkins, Patrick; Wadley, Haydn, 2026, "Replication Data for: The infrared optical properties of ytterbium disilicate", https://doi.org/10.18130/V3/HQKE0K, University of Virginia Dataverse, V2
This data repository contains crystal structure data in the form of crystallographic information files (CIFs), data from density functional theory calculations, and data from running the Phonopy code. The material of interest is the Yb2Si2O7. Using the data given in this repository, the phonon dispersion curves, phonon density of states, and phonon...
Yb2Si2O7_k0_n33_27p5microns.gif
Jun 10, 2026 - Replication Data for: The infrared optical properties of ytterbium disilicate
GIF Image - 50.0 MB - MD5: 4ea9bff15a3724015d8ef00c658dd6dd
Yb2Si2O7_k0_n48_19microns.gif
Jun 10, 2026 - Replication Data for: The infrared optical properties of ytterbium disilicate
GIF Image - 60.9 MB - MD5: ab3cc55b7ffa33607123df7789ea8e6d
Yb2Si2O7_k0_n64_9microns.gif
Jun 10, 2026 - Replication Data for: The infrared optical properties of ytterbium disilicate
GIF Image - 119.6 MB - MD5: e7c95aff19b5ad4e7e06541303034569
README.txt
May 29, 2026 - Replication Data for: The infrared optical properties of ytterbium disilicate
Plain Text - 391 B - MD5: 991234370a67c5237665e2d19f649c93
Readme file
yb2si2o7.0K-c2m.output.0K-c2m.cif
May 29, 2026 - Replication Data for: The infrared optical properties of ytterbium disilicate
Unknown - 1.3 KB - MD5: 83f49a0037a989fc14551cee1156e30f
yb2si2o7.1000c-c2m.output.1000c-c2m.cif
May 29, 2026 - Replication Data for: The infrared optical properties of ytterbium disilicate
Unknown - 1.3 KB - MD5: ff8bbf05eed959b7c6b95dd888cb508e
band.conf
May 29, 2026 - Replication Data for: The infrared optical properties of ytterbium disilicate
Unknown - 93 B - MD5: f98ccf9dfc09f31ab4fc021040e86dc3
BORN
May 29, 2026 - Replication Data for: The infrared optical properties of ytterbium disilicate
Unknown - 719 B - MD5: 4be19252848a3be9a6c6d4d7f27c6e08
born_charges.txt
May 29, 2026 - Replication Data for: The infrared optical properties of ytterbium disilicate
Plain Text - 3.4 KB - MD5: c9cc3df04a6f26944ea6e38649f3867a
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