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首页> 外文期刊>Optical Materials >Comparative analysis of crystal field effects and optical spectroscopy of six-coordinated Mn~(4+) ion in the Y_2Ti_2O_7 and Y_2Sn_2O_7 pyrochlores
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Comparative analysis of crystal field effects and optical spectroscopy of six-coordinated Mn~(4+) ion in the Y_2Ti_2O_7 and Y_2Sn_2O_7 pyrochlores

机译：Y_2Ti_2O_7和Y_2Sn_2O_7烧绿石中六配位Mn〜（4+）离子的晶体场效应和光谱学比较分析

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摘要

The electronic energy levels of the six-coordinated Mn~(4+) ion in the pyrochlores Y_2B_2O_7 (B = Sn~(4+), Ti~(4+)) have been computed using the exchange charge model of crystal field theory. The calculated Mn~(4+) energy levels and their trigonal splitting are in good agreement with the experimental spectra. The calculated crystal field parameters show that the higher crystal field strength in Y_2Sn_2O_7 arises from an increased orbital overlap effect between the Mn~(4+) ion and the nearest oxygen ions, which are located at the 48/ crystallographic position of the pyrochlore lattice. This increased overlap in Y_2Sn_2O_7 occurs despite the fact that the Mn~(4+)-O_2~ bond distance in Y_2Sn_2O_7 is longer than in Y_2Ti_2O_7 and is attributed to a lack of hybridization (covalent bonding) between the filled 2p orbital of oxygen ion occupying the 48/ site of the pyrochlore lattice and the filled Sn~(4+) 4d~(10) orbital. The low temperature emission spectrum of Mn~(4+) activated Y_2Sn_2O_7 is analyzed in terms of a weak zero phonon line (R-line) with accompanying vibra-tional side bands.
机译：利用晶体场理论的交换电荷模型计算了烧绿石Y_2B_2O_7（B = Sn〜（4+），Ti〜（4+））中六配位Mn〜（4+）离子的电子能级。计算出的Mn〜（4+）能级及其三角分裂与实验光谱吻合良好。计算得出的晶体场参数表明，Y_2Sn_2O_7中较高的晶体场强度是由于Mn〜（4+）离子和最接近的氧离子（位于烧绿石晶格的48 /晶体位置）之间的轨道重叠效应增强而引起的。尽管在Y_2Sn_2O_7中的Mn〜（4 +）-O_2〜键距比在Y_2Ti_2O_7中的Mn〜（4 +）-O_2〜键距离长的事实发生，但在Y_2Sn_2O_7中出现了这种增加的重叠，这归因于填充的2p氧离子占据的轨道之间没有杂交（共价键）烧绿石晶格的48位和填充的Sn〜（4+）4d〜（10）轨道。 Mn〜（4+）活化的Y_2Sn_2O_7的低温发射光谱根据弱零声子线（R线）和伴随的振动边带进行了分析。

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  • 来源
    《Optical Materials》 |2011年第11期|p.1671-1676|共6页
  • 作者

    M.G. Brik; A.M. Srivastava; N.M. Avram;

  • 作者单位

    Institute of Physics University of Tartu Rita 142 Tartu 51014 Estonia;

    CE Global Research 1 Research Circle Niskayuna NY 12309 USA;

    Department of Physics West University of Timisoara Bd. V. Parvan 4 Timisoara 300223 Romania Academy of Romanian Scientists Independentei 54 Bucharest 050094 Romania;

  • 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

    pyrochlore; Y_2Ti_2O_7; Y_2Sn_2O_7; Mn~(4+); energy level scheme; covalence;

    机译：烧绿石Y_2Ti_2O_7;Y_2Sn_2O_7;锰〜（4+）;能级方案;共发;

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