含铅空位PbWO4晶体光学性质的模拟计算

为了研究钨酸铅晶体中铅空位对光学性质的影响,利用完全势缀加平面波局域密度泛函近似,按照能量最低原理采用共轭梯度方法,对含铅空位的PbWO4(PWO)晶体进行结构优化处理。计算了含铅空位的PWO晶体的电子结构、复数折射率、介电函数及吸收光谱,并与完整的PWO晶体进行了比较。结果表明：完整的PWO晶体在可见和近紫外区域内无吸收,而含铅空位的PWO晶体在可见和近紫外区域出现2个明显的吸收峰,这2个吸收峰可分解成4个高斯线型的吸收带,它们的峰值分别为350nm、405nm、550nm和670nm。可以得出这样的推论：PWO晶体中350nm、420nm、550nm和670nm吸收带的出现都与铅空位的存在有关。     

含铅空位的PbWO4晶体光学性质及其偏振特性的研究

利用完全势缀加平面波局域密度泛函近似,计算了含铅空位的PbWO4(PWO)晶体的电子结构,模拟计算了复数折射率、介电函数及吸收光谱的偏振特性.比较含铅空位的PWO晶体与完整的PWO晶体的吸收光谱及其偏振特性,得到与铅空位相关的吸收光谱及其偏振特性,计算结果与实验结果基本相符.计算得到的含铅空位的PWO晶体的光学偏振特性反映了PWO晶体的结构对称性.计算结果表明PWO晶体中350,420,550和680 nm的吸收带的出现与PWO晶体中铅空位的存在直接相关.     

含铅空位的PbWO4晶体光学性质及其偏振特性的研究

利用完全势缀加平面波局域密度泛函近似，计算了含铅空位的PbWO₄（PWO）晶 体的电 子结构，模拟计算了复数折射率、介电函数及吸收光谱的偏振特性. 比较含铅空位的PWO晶 体与完整的PWO晶体的吸收光谱及其偏振特性，得到与铅空位相关的吸收光谱及其偏振特性 ，计算结果与实验结果基本相符. 计算得到的含铅空位的PWO晶体的光学偏振特性反映了PWO 晶体的结构对称性. 计算结果表明PWO晶体中350，420，550和680 nm的吸收带的出现与PWO 晶体中铅空位的存在直接相关. 关键词： 4晶体')" href="#">PbWO₄晶体 电子结构 光学性质 铅空位     

F,Y双掺钨酸铅晶体的发光性能和微观缺陷

通过透射光谱、光产额(LY)和光致发光等发光性能测试，研究了F,Y双掺钨酸铅(PbWO₄ ，简称PWO)晶体的发光性能，并利用热释光曲线和正电子湮没寿命谱对F,Y双掺PWO晶 体中的缺陷种类和变化进行了分析. 结果表明：与未掺杂晶体相比，双掺样品在350nm附近 的透过率大大提高，吸收边向短波方向移动约30nm，光致发光谱中出现位于350nm的发光峰 ，双掺样品的LY(100ns内)为未掺杂PWO的2.7倍左右.晶体中主要存在的缺陷为(WO_{3)^{-关键词： F Y双掺钨酸铅闪烁晶体 高光产额 热释光 正电子湮没寿命谱}}     

钨酸铅晶体的本征色心和辐照诱导色心

根据钨酸铅晶体(PbWO4,简称PWO)的缺陷化学和晶体结构特点,用光吸收谱、广延X射线吸收精细结构(EXAFS)和精密X射线衍射(XRD)方法对高温退火后PWO晶体进行微结构研究,获得了其退火前后缺陷变化的情况,据此提出生成态(asgrown)晶体中350nm本征色心吸收带起源于V-F空穴心,并指出PWO中紫外区色心吸收带的强度取决于晶体中铅空位和氧空位浓度之差:[VPb]-[VO];然后,结合晶体在紫外光(UV)辐照过程中色心的转化规律和偏振吸收谱的实验结果,提高420nm辐照诱导色心吸收带起源于V0F双空穴心.并对所提出的PWO晶体色心模型的合理性进行了讨论. 关键词： 钨酸铅 本征色心 辐照诱导色心 色心模型     

利用蒙特卡洛方法对钨酸铅长晶体光收集均匀性的研究

在电磁量能器中,晶体闪烁光收集沿长度方向的均匀性对能量分辨率有相当的影响.利用蒙特卡洛(MC)方法对钨酸铅(PbWO4或PWO)长晶体的光传导与光收集过程进行了模拟计算,着重讨论了晶体吸收长度,折射率等因素对光收集的影响.     

自拉曼混频黄绿波段三波长可切换激光

报道了高效的Nd:YVO_4晶体自拉曼结合二阶非线性光学混频实现黄绿波段三波长可选输出.从改善热效应和增加拉曼介质长度出发,设计双端键合的YVO_4/Nd:YVO_4/YVO_4晶体用于自拉曼变频.考虑混频转换效率和混频波长切换的便捷性,选用临界相位匹配的BaB_2O_4 (BBO)晶体作为二阶非线性光学混频晶体.只需微调BBO晶体匹配角度在1.4°内,就可成功实现基频光和一阶斯托克斯光之间的倍频与和频,获得高效的532 nm绿光、559 nm黄绿光和588 nm黄光三个波长可切换输出.在19.5 W抽运功率和60 kHz的重复频率下,三个波长激光的最高平均输出功率分别为4.37 W, 2.03 W和3.43 W,对应抽运光到可见光的转换效率分别达22.4%, 10.4%和17.6%,对应脉冲宽度分别为36 ns, 12.2 ns和12.7 ns.可见波段波长可切换激光器可满足激光医疗、显示、光谱成像和生物光子学等领域对多种波长激光的应用需求.     

473 nm和946 nm双波长输出的全固态Nd:YAG激光器

设计并实现了473 nm和946 nm双波长输出的全固态Nd:YAG激光器.利用激光二极管端面泵浦Nd:YAG晶体,在三镜折叠谐振腔中插入Brewster窗片作为起偏器,通过周期极化晶体PPKTP内腔倍频获得473 nm蓝光输出.同时利用Nd:YAG激光晶体的热退偏效应,把Brewster窗片作为基频光输出耦合镜,实现946 nm激光输出.通过调谐PPKTP的温度,优化了倍频光和基频光的输出功率.泵浦功率25W时,实验获得了1.8W的473 nm倍频蓝光和0.8W的946 nm基频激光输出.     

钨酸铅晶体的性能测试

通过实验给出了不同生长条件下的钨酸铅(PbWO₄或PWO)晶体的多项性能指标,包括激发发射谱、透射谱、荧光衰减时间、光产额、辐照损伤等实验结果,并对结果进行了讨论.     

利用Kagome光纤实现多芯光子晶体光纤的输出合束

多芯光纤的输出光束只能在远场和焦点附近实现良好的同相位超模合束,这种超模传输特性大大影响了多芯光纤的应用范围.一种新型中空Kagome光纤为解决这一难题提供了可行的方案,利用中空Kagome光纤可以实现七芯光纤输出模式的整形合束.本文利用中心波长800 nm的钛宝石飞秒激光作为激光源,耦合入七芯非线性光子晶体光纤,得到700 nm至1050 nm的展宽光谱,并实现同相位超模输出.随后,将非线性展宽之后的宽谱七芯光束耦合至Kagome光子晶体光纤中,从Kagome光纤输出光斑呈高斯分布的模式传输,不再演变回七芯模式,耦合效率71%.实验还进一步验证此方法适用于不同结构的多芯光纤,为多芯光纤在高功率激光等领域的应用提供了参考.     

PbWO4晶体中的填隙氧及其对晶体光学性质的影响

运用GULP计算软件模拟计算了PbWO₄(PWO)晶体中不同位置的填隙氧原子点缺陷的生成能，计算结果表明：当填隙氧原子存在于(WO₄)^2-的周围时，填隙氧原子点缺陷的生成能最低；进一步运用基于密度泛函理论的全数值自洽DV-Xα方法计算了包含填隙氧原子的PWO晶体的态密度，计算结果表明：当填隙氧处在(WO₄)^2-的周围时，容易与(WO₄)^2-上的一个或两个氧离子相互作用形成分子离子O₂^2-或O₃^4-，通过分析这些计算结果，认为PWO晶体中350 nm吸收带的出现很可能与晶体中的氧分子离子有关.     

+3价离子掺杂钨酸铅晶体发光性能和微观缺陷的研究

通过透射光谱、x射线激发发射光谱（XSL）的测试，研究了Bridgman法生长的几种不同+3价离子掺杂钨酸铅晶体的发光性能，并利用正电子湮没寿命谱（PAT）和x光电子能谱（XPS）的实验手段，对不同钨酸铅晶体的微观缺陷进行研究.实验表明，不同的+3价离子掺杂，对钨酸铅晶体发光性能的改善不同，并使得晶体中正电子俘获中心和低价氧的浓度发生不同变化.其中掺镧晶体的正电子俘获中心和低价氧浓度均上升，而掺钇和掺铋晶体的正电子俘获中心和低价氧浓度均下降，掺锑晶体则出现了正电子俘获中心浓度上升、低价氧浓度下降的情况.提 关键词： 钨酸铅晶体 +3价离子掺杂 正电子湮没寿命谱 x光电子能谱     

First-principles study on the effect of the interstitial oxygen ion on the spectral properties of PWO crystal and the origin of the green luminescence band

The electronic structures and absorption spectra of PWO crystals containing interstitial oxygen ions have been calculated using density functional theory code CASTEP with lattice structure optimized. It is shown by calculation that: (1) the interstitial oxygen ion in the perfect PWO crystal doesn’t bring any obvious absorption in the visible region; (2) the green emission of lead tungstate origin is closely related to the interstitial oxygen ion, and probably originates from the center of “ WO₄+O_i”.     

掺Sb对PbWO_4晶体发光性能的改善

首次报道了ＰｂＷＯ４：Ｓｂ的光谱特性,包括透射谱和Ｘｅ灯光源激发的发射谱与激发谱．掺Ｓｂ具有增强绿光带、抑制红光带并大幅度提高光产额的效果．通过与空气退火ＰＷＯ发光的比较,对绿光带的起因、Ｓｂ掺杂的作用也进行了简要的讨论．     

Optical spectroscopy of Yb/Er codoped NaY(WO4)2 crystal

Erbium and ytterbium codoped double tungstates NaY(WO₄)₂ crystals were prepared by using Czochralski (CZ) pulling method. The absorption spectra in the region 290-2000 nm have been recorded at room temperature. The Judd-Ofelt theory was applied to the measured values of absorption line strengths to evaluate the spontaneous emission probabilities and stimulated emission cross sections of Er³⁺ ions in NaY(WO₄)₂ crystals. Intensive green and red lights were measured when the sample were pumped by a 974 nm laser diode (LD), especially, the intensities of green upconversion luminescence are very strong. The mechanism of energy transfer from Yb³⁺ to Er³⁺ ions was analyzed. Energy transfer and nonradiative relaxation played an important role in the upconversion process. Photoexcited luminescence experiments are also fulfilled to help analyzing the transit processes of the energy levels.     

Luminescence of PbWO<Subscript>4</Subscript> single crystals doped with fluorine

The influence of fluorine doping on the luminescent properties of lead tungstate, PbWO₄, a scintillating material used in high-energy physics, was studied. Two series of crystals that were grown by the Czochralski method in two different laboratories were investigated. It was shown that the luminescent properties of the fluorine-doped samples were similar although those of the undoped PbWO₄ samples from the different series differed significantly. It was concluded that this was associated with the formation of WO₃F complexes in the fluorine-doped PbWO₄ crystals.     

Origin of green luminescence in PbWO4 crystals

Characteristics of two green emission bands, G(I) and G(II), and their origin were investigated within 0.4-300 K under photoexcitation in the 3.4-6.0 eV energy range for undoped and Mo⁶⁺-, Mo⁶⁺ , Y³⁺-, Mo⁶⁺, Nb⁵⁺-, Mo⁶⁺, Ce³⁺-, Cr⁶⁺-, La³⁺-, Ba²⁺- and Cd²⁺-doped PbWO₄ crystals with different concentrations of impurity and intrinsic defects, grown by different methods and annealed at different conditions. The G(I) emission band, observed at low temperatures, located around 2.3-2.4 eV and excited around 3.9 eV, is usually a superposition of many closely positioned bands. The G(I) emission of undoped crystals is assumed to arise from the WO₄²⁻ groups located in the crystal regions of lead-deficient structure. In Mo⁶⁺-doped crystals, this emission arises mainly from the MoO₄²⁻ groups themselves. The G(II) emission band located at 2.5 eV is observed only in the crystals, containing the isolated oxygen vacancies — WO₃ groups. This emission appears at T>160 K under excitation around 4.07 eV as a result of the photo-thermally stimulated disintegration of localized exciton states and subsequent recombination of the produced electron and hole centres near WO₃ groups. The G(II) emission accompanies also thermally stimulated recombination processes in PbWO₄ crystals above 150 K. Mainly the G(II) emission is responsible for the slow decay of the green luminescence in PbWO₄ crystals.     

Study of VUV emission and γ-ray responses of Nd:BaF2 scintillaotor

Nd³⁺ 1%, 5% and 10% doped BaF₂ single crystals were grown by the micro-pulling down method. Photoluminescence properties, including excitation and emission spectra and luminescence decay were measured under synchrotron radiation excitation at the Superlumi station in HASYLAB at DESY (Hamburg, Germany). The Nd³⁺ related 5d-4f emission lines peaking around 180 nm, 230 nm, and 260 nm, identified as the 5d–⁴I_j, 5d–⁴F_j, and 5d–²G_j transitions, were observed under 140–168 nm excitation. In photoluminescence decay under the 160 nm excitation, the dominant component decay time is about 12, 2.5 and 1.2 ns for Nd³⁺ 1%, 5% and 10% concentration, respectively. The decay time shortening is explained by the concentration quenching effect. Transmittance of Nd1% sample is about 80% for wavelengths above 185 nm. Finally, gamma-ray responses, non-proportionality and energy resolution of Nd1% sample were compared with the undoped BaF₂ scintillator. The light yield of the Nd1%:BaF₂ is about 93% of that of undoped BaF₂. ^©2009 Elsevier Ltd. All rights reserved.     

Application of X‐ray fluorescence spectrometry on quality control of scintillation crystals

The major components PbO and WO₃ in PWO crystals, Bi₂O₃ and GeO₂ in BGO crystals, as well as Gd, La, Nb, Mg, Mo, Bi, Sb and Y doped in PWO crystals and Eu doped in BGO crystals were successfully determined with X‐ray fluorescence spectroscopy (XRF) using fusion techniques. Calibration standards were synthesized with high‐purity oxides and standard solutions. The analysis results can meet the general requirements of the quality control of the crystal growth and research purpose. The relative standard deviations for Bi₂O₃, GeO₂, PbO and WO₃ are 0.21%, 0.18%, 0.25% and 0.22%, respectively (k = 8). The detection limits for dopants in PWO are below 5 µg/g for Gd, La, Nb, Mo, Sb and Y and below 20 µg/g for Mg and Bi. The detection limits for Eu doped in BGO are 8 µg/g. The testing results of XRF were compared with those of inductively coupled plasma optical emission spectroscopy. It was found that the relative differences of the testing results between the two methods are less than 10% for most dopants in PWO crystals. Copyright © 2011 John Wiley & Sons, Ltd.