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,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.]
锰掺杂对Ba2SiO4: Eu2+电子结构和光谱性能的影响
投稿时间:2016-04-21  修订日期:2016-10-14
中文关键词:  硅酸盐荧光粉  发光二极管  第一性原理
基金项目:
中文摘要:
      运用第一性原理研究了Mn掺杂对Ca2SiO4:Eu2+荧光粉性能的影响。与Ca2SiO4:Eu2+荧光粉相比较,发现:进行Mn掺杂以后,荧光粉的吸收光谱向长波方向发生红移。用来替换部分Ca离子的Mn离子提高了Eu2+周围晶体场的强度,造成Eu2+的5d能级的下移。再加上Mn3d能级也发生分裂并部分进入导带顶和价带底,导致带隙变窄和吸收光谱的红移。
Effect of Mn doping on the electronic structure and absorption spectrum of Ba2SiO4: Eu2+ phosphor
英文关键词:Silicate phosphor  Light emitting diodes (LEDs)  First principle calculation
英文摘要:
      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.
作者单位E-mail
陈海涛 四川大学 材料科学与工程学院 chqcht@sina.com 
黄雪飞 四川大学 材料科学与工程学院  
黄维刚 四川大学 材料科学与工程学院 huangwg56@163.com 
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