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He, Jiabei; Li, Hao-Bo; Wang, Changhong; Cheng, Yahui; Wang, Wei-Hua; Lu, Feng; Wang, Weichao; Liu, Hui; Yuan, Linlin; Li, Lan, E-mail: weichaowang@nankai.edu.cn, E-mail: lilan2000us@126.com2015
AbstractAbstract
[en] As a potential red-light source in the white light emitting diodes (LEDs), Mn-doped magnesium fluorogermanate (Mg28Ge7.5O38F10) are investigated by the first principles calculation with the Heyd-Scuseria-Ernzerhof (HSE) functional. The results demonstrate that the neutral Mn substitutions at the Mg (Mn), octahedral Ge (Mn) and tetrahedral Ge (Mn) sites are all energetically favorable. However, only Mn could create proper transition levels leading to the experimentally observed red-light emission under near ultra-violet (UV) excitation. Our results provide fundamental understanding of the Mn defects behavior and the corresponding red-light emission in Mn-doped magnesium fluorogermanate. (paper)
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Available from http://dx.doi.org/10.1088/0022-3727/48/47/475101; Country of input: International Atomic Energy Agency (IAEA)
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