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Ba impurity in potassium dihydrogen phosphate(KDP) is studied with the first-principle simulation method. The relaxed configurations and density of the states of KDP crystal with Ba impurity are calculated. We find that Ba can generate a K vacancy and an interstitial O-H unit for charge compensation. The band gap of KDP crystal narrowed down to about 3.9 eV,which is consistent with the experimental data from previously reported studies and indicates that Ba may be a source of low-damage threshold. 相似文献
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KDP晶体激光损伤机理研究 总被引:1,自引:1,他引:0
大口径KDP晶体是唯一可用作激光约束核聚变(ICF)中Pockels盒和倍频器件的晶体材料,但是低的抗激光损伤阈值使其应用受到了限制.本文从电子-空穴对的产生及稳定机制、光伤实体的本质等方面总结了多年来人们对KDP晶体激光损伤机理的研究进展,尤其从多光子电离、碰撞电离、激光加热三个方面定性阐述了电子-空穴对的产生机制, 而电子-空位对的稳定机制是探讨光损伤的关键步骤.另外从晶体生长过程及后处理两个方面初步讨论了提高光伤阈值和光学均匀性的途径. 相似文献
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The electronic structure and geometric distribution of phosphor replaced by sulfur in potassium dihydrogen phosphate (KDP) are investigated by first-principles calculations. The point defect narrows down the energy gap to about 4.9eV, corresponding to a two-photon absorption of 355nm after correction. This can explain the decrease of the laser damage resistance in KDP crystals. Moreover, the defects twist the crystal structure and weaken bonds, especially the O-H bonds, so these bonds may be the first sites to crack under laser irradiation. 相似文献