Crystal field of rare earth impurities in LaF_3

P. Novak; J. Kunes; K. Knizek

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Crystal field of rare earth impurities in LaF_3

机译：LaF_3中稀土杂质的晶体场

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摘要

The crystal field parameters of 13 trivalent lanthanide ions substituted for La in LaF_3 were calculated using the combination of the band structure and Wannier function calculations. Performing an atomic exact diagonalization with thus obtained crystal-field parameters we compute the crystal-field splitting of atomic multiplets. The calculation is compared with the available experimental results and a good agreement is found.

机译：结合能带结构和Wannier函数计算，计算了LaF_3中13个取代La的三价镧系离子的晶体场参数。用由此获得的晶场参数执行原子精确对角化，我们计算原子多重峰的晶场分裂。将计算结果与可用的实验结果进行比较，并找到了很好的一致性。

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来源
《Optical Materials》 |2014年第11期|414-418|共5页
作者
P. Novak; J. Kunes; K. Knizek;
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作者单位

Institute of Physics of ASCR Cukrovarnicka 10 162 00 Prague 6 Czech Republic;

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收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);
原文格式 PDF
正文语种 eng
中图分类
关键词
Crystal field; Rare earth; Ab initio calculation;

机译：晶体场稀土;从头算;

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专利

1. Crystal field of rare earth impurities in LaF_3 [J] . P. Novak, J. Kunes, K. Knizek Optical Materials . 2014,第Nova期

机译：LaF_3中稀土杂质的晶体场
2. Rare earth doped silicate-oxyfluoride glass ceramics incorporating LaF_3 nano-crystals for UV-LED color conversion [J] . Suk-Rok Bae, Yong Gyu Choi, Won Bin Im, Optical Materials . 2013,第11期

机译：掺入LaF_3纳米晶体的稀土掺杂硅酸盐-氟氧化物玻璃陶瓷，用于UV-LED颜色转换
3. Theory of crystal field states for heavy rare-earth impurities in MgB2 [J] . Welsch F., Kremer R., Fahnle M. Journal of Physics. Condensed Matter . 2002,第43期

机译：MgB2中重稀土杂质的晶体场态理论
4. Study of effects of rare earth impurities on structure of matrix emission of the lead tungstate crystals [C] . Chukova O., Nedilko S. International Conference on Oxide Materials for Electronic Engineering - fabrication, properties and applications . 2014

机译：稀土杂质对钨酸铅晶体基体发射结构的影响研究
5. DETERMINATION OF RARE-EARTHS AND OTHER TRACE IMPURITIES IN LEAD ZIRCONATETITANATE CERAMICS BY NEUTRON ACTIVATION ANALYSIS AND PIEZOELECTRIC PROPERTIES OF LEAD ZIRCONATE TITANATE CERAMICS AS MODIFIED BY SMALL QUANTITIES OF RARE-EARTH, URANIUM AND HAFNIUM ADDITIVES. [D] . BEARD, HOWARD RICHARD. 1966

机译：通过中子活化分析和铅，锆，钛酸铅陶瓷的压电特性（通过少量的稀土，铀和HA添加剂修饰）来测定铅酸锆钛酸盐陶瓷中的稀土和其他痕量杂质。
6. ThMn12-type phases for magnets with low rare-earth content: Crystal-field analysis of the full magnetization process [O] . I. S. Tereshina, N. V. Kostyuchenko, E. A. Tereshina-Chitrova, -1

机译：稀土含量低的磁体的ThMn12型相：全磁化过程的晶体场分析
7. Crystal field of rare earth impurities in LaF$_3$ [O] . Novák, P., Kuneš, J., Knížek, K. 2014

机译：LaF中的稀土杂质晶体场$ _3 $
8. INVESTIGATION INTO THE ORIGIN OF CRYSTALLINE ELECTRIC FIELD EFFECTS ON RARE EARTH IONS II. CONTRIBUTIONS FROM THE RARE EARTH ORBITALS [R] . D. K. Ray 1963

机译：结晶电场对稀土离子影响的研究II。来自稀土公园的贡献

Crystal field of rare earth impurities in LaF_3

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