Phonon induced lifetime Renormalizations in Cubic-Zirconia: Many-Body first principle Calculations

zohreh dabiri, Ali Kazempour


Phonon assisted electron-electron correlation in cubic zirconia is studied within Density Functional Theory. To perform calculations, phonons are entered directly in two regimes: electron type-polaron (e-polaron) and hole type-polron (h-polaron). We observed an almost equal reduction in band gaps for both regimes which leads to significant variation of energy and momentum renormalization of carriers. Further, a higher scattering rate is observed in e-polaron. In fact, phonon induced electron-electron coupling and complicated electronic correlations are the main reasons for the higher scattering rate in e-polaron regime. This effect results in low thermal conductivity in cubic zirconia.


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