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arXiv

Ab initio calculations of erbium crystal field splittings in oxide hosts

作     者:Limbu, Yogendra Shi, Yueguang Sink, Joseph Puel, Tharnier O. Paudyal, Durga Flatté, Michael E. 

作者机构:Department of Physics and Astronomy University of Iowa Iowa CityIA52242 United States Ames National Laboratory of the US DOE Iowa State University AmesIA50011 United States Department of Electrical and Computer Engineering Iowa State University AmesIA50011 United States Department of Applied Physics Eindhoven University of Technology Eindhoven Netherlands 

出 版 物:《arXiv》 (arXiv)

年 卷 期:2025年

核心收录:

主  题:Excited states 

摘      要: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 µm 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. Copyright © 2025, The Authors. All rights reserved.

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