Hole polarons trap stably on oxygen 2p orbitals with -0.65 eV energy and 0.32 eV migration barrier while excess electrons do not self-trap on niobium in rhombohedral NaNbO3.
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First-principles investigation of small polarons in rhombohedral NaNbO$_{3}$
Hole polarons trap stably on oxygen 2p orbitals with -0.65 eV energy and 0.32 eV migration barrier while excess electrons do not self-trap on niobium in rhombohedral NaNbO3.