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錳摻雜對(duì)Ba2SiO4: Eu2+電子結(jié)構(gòu)和光譜性能的影響
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四川大學(xué) 材料科學(xué)與工程學(xué)院,四川大學(xué) 材料科學(xué)與工程學(xué)院,四川大學(xué) 材料科學(xué)與工程學(xué)院

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Effect of Mn doping on the electronic structure and absorption spectrum of Ba2SiO4: Eu2+ phosphor
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College of Material science and engineering,Sichuan University,College of Material science and engineering,Sichuan University,College of Material science and engineering,Sichuan University

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    摘要:

    運(yùn)用第一性原理研究了Mn摻雜對(duì)Ca2SiO4:Eu2+熒光粉性能的影響。與Ca2SiO4:Eu2+熒光粉相比較，發(fā)現(xiàn)：進(jìn)行Mn摻雜以后，熒光粉的吸收光譜向長波方向發(fā)生紅移。用來替換部分Ca離子的Mn離子提高了Eu2+周圍晶體場的強(qiáng)度，造成Eu2+的5d能級(jí)的下移。再加上Mn3d能級(jí)也發(fā)生分裂并部分進(jìn)入導(dǎo)帶頂和價(jià)帶底，導(dǎo)致帶隙變窄和吸收光譜的紅移。

    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.

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陳海濤,黃雪飛,黃維剛.錳摻雜對(duì)Ba2SiO4: Eu2+電子結(jié)構(gòu)和光譜性能的影響[J].稀有金屬材料與工程,2018,47(3):729~735.[Chen Haitao, Huang Xuefei, 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.]
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  • 收稿日期:2016-04-21
  • 最后修改日期:2016-10-14
  • 錄用日期:2016-11-11
  • 在線發(fā)布日期: 2018-04-11
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