Electronic and optical properties of doped TiO2 by many-body perturbation theory
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چکیده
منابع مشابه
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We show that the existence of algebraic forms of exactly-solvable A−B− C−D and G2, F4 Olshanetsky-Perelomov Hamiltonians allow to develop the algebraic perturbation theory, where corrections are computed by pure algebraic means. A classification of perturbations leading to such a perturbation theory based on representation theory of Lie algebras is given. In particular, this scheme admits an ex...
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This paper describes an investigation into the general trend in electronic properties of anatase TiO2 photocatalysts co-doped with transition metals and nitrogen employing first-principles density functional theory. Fourteen different transition metals (M), including Sc, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Y, Zr, Nb, Mo, and Cd, have been considered. The characteristic band structures of the co-dopi...
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ژورنال
عنوان ژورنال: Physical Review Materials
سال: 2019
ISSN: 2475-9953
DOI: 10.1103/physrevmaterials.3.045401