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(Color online) Structures of carbon doped zirconia: (a) with carbon in the interstitial position and (b) with oxygen vacancy and carbon in the interstitial position.
(Color online) Atomic displacements in the softest vibrational mode that dominates the dielectric response of .
Unit cell ( of ), volume , band gap, and cohesive energy .
Static dielectric constants , , and and electronic contributions , , and in three principal directions.
Frequencies of optical modes that contribute to the dielectric response.
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