Band gap engineering via doping: A predictive approach
نویسندگان
چکیده
منابع مشابه
Band gap engineering of bulk ZrO2 by Ti doping.
It has been experimentally observed that Ti doping of bulk ZrO(2) induces a large red-shift of the optical absorption edge of the material from 5.3 to 4.0 eV [Livraghi et al., J. Phys. Chem. C, 2010, 114, 18553-18558]. In this work, density functional calculations based on the hybrid functional B3LYP show that Ti dopants in the substitutional position to Zr in the tetragonal lattice cause the f...
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ژورنال
عنوان ژورنال: Journal of Applied Physics
سال: 2015
ISSN: 0021-8979,1089-7550
DOI: 10.1063/1.4916252