Electronic Structure and Luminescence Properties of Phosphor Li8Bi2(MoO4)7: Dy3

• Published in: Journal of the American Ceramic Society 2014-06, Vol.97 (6), p.1878-1882
• Main Authors: Zhao, Jin, Guo, Chongfeng, Su, Xiangying, Noh, Hyeon Mi, Jeong, Jung Hyun
• Format: Article
• Language: English
• Subjects: Color; Conduction bands; Crystal structure; Density functional theory; Diffraction; Dysprosium; Electronic structure; Light emitting diodes; Luminescence; Mathematical analysis; Optical properties; Phosphors; Photoluminescence; Sol-gel processes; Valence band; White light; X-ray diffraction
• ISSN: 0002-7820; 1551-2916
• DOI: 10.1111/jace.12863

Dy3+‐doped Li8Bi2(MoO4)7 (LBM: Dy3+) white‐emitting phosphors have been prepared by sol‐gel method at about 400~550°C low temperature. The electronic structure of Li8Bi2(MoO4)7 is also calculated using density functional theory. The calculation results show that Li8Bi2(MoO4)7 has a direct band gap with 2.63 eV, the top of the valence band and the bottom of the conduction band are dominated by O 2p and Mo 4d, respectively. The effect from Bi3+ ions is so weak that it could be neglected, which is also be proved by the experimental results. The crystal structure and luminescent properties of the obtained phosphors are characterized by powder X‐ray diffraction and photoluminescence spectrum, respectively. Photoluminescence results showed that the obtained phosphors can be excited efficiently by near‐UV 387 nm and generated white light emission. The yellow/blue ratio and Commission International de I'Eclairage color coordinates could be tuned by adjusting the concentration of Dy3+. Results demonstrated that Li8Bi2(MoO4)7: Dy3+ was a potential white light‐emitting phosphor candidate for NUV‐based w‐LEDs.