SrBPO5∶Ho3+荧光粉的制备、性能及第一性原理计算

Preparation,properties and first-principles calculation of SrBPO5:Ho3+ phosphor

运用高温固相法合成SrBPO5∶Ho^3+,用X射线衍射仪(XRD)、能谱仪(EDS)以及荧光光度计(PL)对合成产物的结构、组成和发光性质进行了研究。结果表明:少量掺杂Ho不会影响基质的晶体结构,Ho均匀分布在基质材料中;荧光材料呈现出Ho^3+的特征发射,发光区域在绿色区域,当掺杂量为0.03 mol时发射强度最大;掺杂后计算得到SrBPO5∶Ho^3+的VBM和CBM之间的带隙值为5.53 eV,相对掺杂前略微减少,且SrBPO5∶Ho^3+体系属于直接带隙结构,有利于发光;Ho的掺杂在费米能级附近引起杂质能级。

SrBPO5∶Ho^3+ was synthesized by high temperature solid phase method.The microstructure,composition,and luminescent performance of the as-prepared SrBPO5∶Ho^3+ were analyzed by X-ray diffraction(XRD),energy dispersive spectroscopy(EDS),and fluorophotometer(PL).The measurement results demonstrated that a small amount of Ho doping does not affect the phase structure of SrBPO5 matrix.Ho dopant was uniformly distributed on the matrix material.The SrBPO5∶Ho^3+ sample exhibited the characteristic emission of Ho^3+ and the luminescent region was in the green region.In particular,the emission intensity reached maximum when Ho doping amount was 0.03 mol.The calculated band gap between VBM and CBM of SrBPO5∶Ho^3+ was 5.53 eV,which is slightly lower than that for the undoped SrBPO5.Band structure analysis reveals SrBPO5∶Ho^3+ has a direct band gap structure,which facilitates luminescence performance.In addition,the Ho dopant introduces impurity energy levels near the Fermi level of SrBPO5∶Ho^3+.