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陈海涛,黄雪飞,黄维刚.锰掺杂对Ba2SiO4: Eu2+电子结构和光谱性能的影响[J].稀有金属材料与工程(英文),2018,47(3):729~735.[Chen Haitao,Huang Xuefei and Huang Weigang.Effect of Mn doping on the electronic structure and absorption spectrum of Ba2SiO4: Eu2+ phosphor[J].Rare Metal Materials and Engineering,2018,47(3):729~735.]
Effect of Mn doping on the electronic structure and absorption spectrum of Ba2SiO4: Eu2+ phosphor
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Received:April 21, 2016  Revised:October 14, 2016
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Key words: Silicate phosphor  Light emitting diodes (LEDs)  First principle calculation
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Chen Haitao,Huang Xuefei and Huang Weigang  
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Abstract:
      The influence of Mn doping on the Ca2SiO4:Eu2+ phosphors is investigated by the First principle calculation. Comparing with the Ca2SiO4:Eu2+ phosphor, it is found that red-shift of the absorption spectrum for the Mn-doped Ca2SiO4:Eu2+ phosphor takes place. Mn2+ ions substitution on Ca2+ sites causes an increase of the crystal ?eld strength, which results in Eu5d level moving down ward in energy. Besides, Mn3d partly enters into the top of the conduction band and the bottom of the valence band. These two reasons bring about narrow band gap and red shift of absorption spectrum.