Doping and defects in YBa2Cu3O7: Results from hybrid density functional theory
نویسندگان
چکیده
منابع مشابه
Doping strategies to control A-centres in silicon: insights from hybrid density functional theory.
Hybrid density functional theory is used to gain insights into the interaction of intrinsic vacancies (V) and oxygen-vacancy pairs (VO, known as A-centres) with the dopants (D) germanium (Ge), tin (Sn), and lead (Pb) in silicon (Si). We determine the structures as well as binding and formation energies of the DVO and DV complexes. The results are discussed in terms of the density of states and ...
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ژورنال
عنوان ژورنال: Applied Physics Letters
سال: 2012
ISSN: 0003-6951,1077-3118
DOI: 10.1063/1.4729892