نتایج جستجو برای: polaronic and bipolaronic forms

تعداد نتایج: 16844827  

Journal: :physica status solidi (b) 2000

Journal: :npj computational materials 2022

Abstract Since the preliminary work of Anisimov and co-workers, Hubbard corrected DFT+ U functional has been used for predicting properties correlated materials by applying on-site effective Coulomb interactions to specific orbitals. However, determination parameter remained under intense discussion despite multitude approaches proposed. Here, we define a selection criterion based on use polaro...

Journal: :Journal of Physics: Condensed Matter 2007

Journal: :The Journal of Physical Chemistry C 2013

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