标题： 锌离子注入二氧化硅玻璃在热退火前后的电子结构和光致发光特性 显示英文标题

标题： Electronic structure and photoluminescence properties of Zn-ion implanted silica glass before and after thermal annealing

摘要： XPS核心能级和价带测量结果，Zn离子注入（E=30 keV，D=1*1017 cm^-2）的a-SiO2的光致发光光谱以及通过密度泛函理论计算的电子结构以及由Zn离子注入引起的二氧化硅玻璃中结构缺陷的形成能的结果如下所示。 理论和实验都表明，注入的锌离子占据间隙位置比阳离子取代更有利于能量。 因此，嵌入间隙的Zn离子与周围的氧原子形成化学键，形成类似ZnO的纳米颗粒和缺氧的SiOx基质。 随后在900 0C下退火（1小时）显著减少了ZnO纳米颗粒的数量，并诱导形成{\alpha }-Zn2SiO4相，该相显著增强了绿色发射。 显示英文摘要

摘要： The results of XPS core-level and valence band measurements, photoluminescence spectra of a-SiO2 implanted by Zn-ions (E=30 keV, D=1*1017 cm^-2) and Density Functional Theory calculations of electronic structure as well as formation energies of structural defects in silica glass induced by Zn-ion implantation are presented. Both theory and experiment show that it is energetically more favorable for implanted zinc ions to occupy the interstitial positions instead of cation substitution. As a result, the Zn-ions embedded to interstitials, form chemical bonds with the surrounding oxygen atoms, formation ZnO-like nanoparticles and oxygen-deficient SiOx matrix. The subsequent thermal annealing at 900 0C (1 hr) strongly reduces the amount of ZnO nanoparticles and induces the formation of {\alpha}-Zn2SiO4 phase which markedly enhances the green emission.