| 填隙氧离子对钨酸铅晶体光学性质的影响及绿光起源的研究 |
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| 引用本文： | 张秀彦,张启仁,刘廷禹,陈腾,田东升.填隙氧离子对钨酸铅晶体光学性质的影响及绿光起源的研究[J].上海理工大学学报,2007,29(2):121-124,128. |
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| 作者姓名： | 张秀彦 张启仁 刘廷禹 陈腾 田东升 |
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| 作者单位： | 上海理工大学,理学院,上海,200093 |
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| 摘 要： | 应用GULP软件按照能量最低原理确定了钨酸铅(PWO)晶体中填隙氧离子的位置,再用CASTEP软件计算了完整PWO晶体和含有填隙氧离子的PWO晶体的总态密度、分态密度和吸收光谱.计算结果表明,填隙氧离子的存在不会造成PWO晶体可见光区的显著吸收;PWO晶体中的绿光中心可能起源于WO4 Oi.
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| 关 键 词： | PWO晶体 电子态密度 填隙氧 绿光中心 |
| 文章编号： | 1007-6735（2007）02-0121-04 |
| 修稿时间： | 2006-08-24 |
Study on effect of the interstitial oxygen ion on the spectral properties of PWO crystal and the origin of green luminescence band |
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| ZHANG Xiu-yan,ZHANG Qi-ren,LIU Ting-yu,CHEN Teng,TIAN Dong-sheng.Study on effect of the interstitial oxygen ion on the spectral properties of PWO crystal and the origin of green luminescence band[J].Journal of University of Shanghai For Science and Technology,2007,29(2):121-124,128. |
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| Authors: | ZHANG Xiu-yan ZHANG Qi-ren LIU Ting-yu CHEN Teng TIAN Dong-sheng |
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| Institution: | College of Science, University of Shanghai for Science and Technology, Shanghai 200093, China |
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| Abstract: | The electronic structures and absorption spectra of PWO crystals containing interstitial oxygen ion were calculated using code CASTEP based on density functional theory with lattice structure optimized.It is shown that: the interstitial oxygen ion in the perfect PWO crystal doesn't cause any absorption in the visible region;the green emission of lead tungstate origin is closely related to the interstitial oxygen ion,and probably originates from the center of WO4 Oi. |
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| Keywords: | PWO crystal interstitial oxygen ion green luminescence band |
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