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RESEARCH PAPER · Crystal Research and Technology · 2025

The Effects of the Interstitial Cai on the Electronic Structure and Laser Damage for KDP Crystals: A First‐Principles Study

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The Effects of the Interstitial Cai on the Electronic Structure and Laser Damage for KDP Crystals: A First‐Principles StudyOriginalFirst-principles study on the Ti interstitial defects in potassium dihydrogen phosphate crystals1Density functional theory-guided synergistic optimization of the properties of Group I alkali-metal-doped KH2PO4 crystals0Zn interstitial defects in KH 2 PO 4 : a first-principles study of optical and electronic properties0

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  1. First-principles study on the Ti interstitial defects in potassium dihydrogen phosphate crystals

    Materials Science in Semiconductor Processing · 2025-12-23

    Fang Xie, Wei Hong, Tingyu Liu, Yu Ping Ren, Ning Meng

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  2. Density functional theory-guided synergistic optimization of the properties of Group I alkali-metal-doped KH2PO4 crystals

    Acta Physica Sinica · 2026-01-01

    Wenbin Zhu, Changcheng Chen, Zhengjun Wang, Xiongfei Yun, Zhao Han, Yali Tuo, Yuxi Du, Shuli Gao, Wen Chen, Xiaoning Guan, Jiangzhou Xie, Gang Liu, Pengfei Lu

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  3. Zn interstitial defects in KH 2 PO 4 : a first-principles study of optical and electronic properties

    Physica Scripta · 2026-03-05

    Yu Ping Ren, Wei Hong, T. Liu, Fang Xie, Ning Meng

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