Published October 16, 2024 | Version v1
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Data for: Cross-luminescence in BaF2 crystals doped with M3+ and RE3+ ions: hybrid density functional theory study.

Authors/Creators

  • 1. ROR icon Institute of Solid State Physics

Description

Dataset contains output files and wavefunctions produced by CRYSTAL23 code, used in "Cross-luminescence in BaF2 crystals doped with M3+ and RE3+ ions: hybrid density functional theory study."

Folders:

D-elements: outputs and wavefunctions for d-element dopants in BaF2

Lanthanides: outputs and wavefunctions for lanthanide dopants in BaF2

DOS: Density of States for all studied systems

Files

Files (126.1 MB)

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md5:d1f75063d37449c43482bbf756d2b933
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Additional details

Funding

Latvian Council of Science
Cross-luminescence engineering for picosecond time-of-flight gamma and X-ray imaging for medical applications lzp- 2022/1–0611