Preprint
Ab initio calculations of erbium crystal field splittings in oxide hosts
ArXiV.org
Cornell University
01/06/2025
DOI: 10.48550/arxiv.2501.03348
Abstract
We present an effective ab initio method to calculate the crystal field coefficients of an erbium (Er3+) ion experiencing different local site symmetries in several wide-band-gap oxides, and then evaluate crystal field splittings of these Er3+ ions for their ground and excited states. The optical transitions between the ground state (Z) and excited state (Y) manifolds of the environmentally shielded 4f states of these Er3+ ions have wavelengths ~1.5 microns and thus have potential applications to quantum communications and quantum memories. These results are in excellent agreement with recent low-temperature measurements, provided the inadequate calculation of the 4f shell screening is adjusted by reducing the radial extent of the 4f wavefunctions by approximately a factor of 2.
Details
- Title: Subtitle
- Ab initio calculations of erbium crystal field splittings in oxide hosts
- Creators
- Yogendra LimbuYueguang ShiJoseph SinkTharnier O PuelDurga PaudyalMichael E Flatté
- Resource Type
- Preprint
- Publication Details
- ArXiV.org
- DOI
- 10.48550/arxiv.2501.03348
- ISSN
- 2331-8422
- Publisher
- Cornell University; Ithaca, New York
- Language
- English
- Date posted
- 01/06/2025
- Academic Unit
- Electrical and Computer Engineering; Physics and Astronomy
- Record Identifier
- 9984772244502771
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