黄色荧光粉La_(3)Si_(6)N_(11)∶Ce^(3+)的结构、性能研究及第一性原理计算  

Structure, properties and first-principles calculation of La_(3)Si_(6)N_(11)∶Ce^(3+) phosphor

作　　者：林莹[1] 刘梦丽 陈文杰[3] 高腾 胡晓琳[2] 庄乃锋[2] Lin Ying;Liu Mengli;Chen Wenjie;Gao Teng;Hu Xiaolin;Zhuang Naifeng(Fujian Chuanzheng Communications College,Fuzhou 350007;Fuzhou University,Fuzhou 350108;Quanzhou Normal University,Quanzhou 362000)

机构地区：[1]福建船政交通职业学院,福州350007 [2]福州大学,福州350108 [3]泉州师范学院,泉州362000

出　　处：《化工新型材料》2023年第2期164-168,共5页New Chemical Materials

基　　金：国家自然科学基金面上项目(61875039);福建省自然科学基金面上项目(2020J01776);福建省中青年教师教育科研项目(JAT201064)。

摘　　要：运用高温固相法合成掺铈的氮化物荧光粉La_(3)Si_(6)N_(11)∶Ce^(3+)。采用X射线衍射仪、能谱仪、荧光光谱仪对合成样品的结构、发光性能等进行研究,利用Rietveld方法对其结构精修,并计算了La_(3)Si_(6)N_(11)∶Ce^(3+)的色坐标、色纯度和色温。结果表明:该荧光粉的色坐标为(0.4165,0.558),落在黄绿光区域,计算得到La_(2.82)Si_(6)N_(11)∶Ce_(0.18)^(3+)的色纯度约为92.86%,具有较高的纯度,相关色温为4137K,属于中间色温。通过计算可得掺杂后La_(3)Si_(6)N_(11)∶Ce^(3+)的带隙值为2.92eV,相对掺杂前略微减少,且La_(3)Si_(6)N_(11)∶Ce^(3+)体系属于直接带隙结构,从而有利于提高其发光性能。Cerium-doped nitride phosphor La_(3)Si_(6)N_(11)∶Ce^(3+)was successfully synthesized by high-temperature solid-state method.The structure and luminescence properties of the synthesized sample were studied by X-ray powder diffraction, energy dispersive spectrometer and fluorescence spectrometer.Its structure was refined by Rietveld method.In addition, the color coordinates, the color purity and the color temperature of La_(3)Si_(6)N_(11)∶Ce^(3+)were calculated.The color coordinate was 0.4165,0.558,which belonged to yellow-green light-emitting area.La_(2.82)Si_(6)N_(11)∶CeCe_(0.18)^(3+)had a higher color purity of about 92.86% and the intermediate correlated color temperature was 4137K.Through calculation, the band gap value of La_(3)Si_(6)N_(11)∶Ce^(3+)after doping was 2.92eV,which was slightly reduced compared with that before doping, and La_(3)Si_(6)N_(11)∶Ce^(3+)system belonged to direct band gap structure, thus contributing to the improvement of its luminescence properties.

关 键 词：La_(3)Si_(6)N_(11)∶Ce^(3+) XRD-Rietveld结构精修 发光性能 第一性原理计算 

分 类 号：O482.31[理学—固体物理]