The ab-initio theory of low-field electronic transport properties such as carrier mobility in semiconductors is well-established. However, an equivalent treatment of electronic fluctuations about a non-equilibrium steady state, which are readily probed experimentally, remains less explored.Here, we report a first-principles theory of electronic noise for warm electrons in semiconductors. In contrast with typical numerical methods used for electronic noise, no adjustable parameters are required in the present formalism, with the electronic band structure and scattering rates calculated from first-principles. We demonstrate the utility of our approach by applying it to GaAs and show that spectral features in AC transport properties and noise originate from the disparate time scales of momentum and energy relaxation, despite the dominance of optical phonon scattering.Our formalism enables a parameter-free approach to probe the microscopic transport processes that give rise to electronic noise in semiconductors.

We investigate polarization retention in 10 to 19 nm thick ferroelectric BaTiO3 (BTO) grown on Ge(001) by molecular beam epitaxy. The out-of-plane direction and reversibility of electric polarization were confirmed using piezoresponse force microscopy. After reverse-poling selected regions of the BTO films to a value P with a biased atomic-force microscope tip, we monitored relaxation of their net polarization for as long as several weeks using optical second-harmonic generation microscopy. All films retained reversed polarization throughout the observation period. 10 nm-thick BTO films relaxed monotonically to a saturation value of 0.9 P after 27 days and 19 nm films to 0.75 P after 24 h. Polarization dynamics are discussed in the context of a 1D polarization relaxation/kinetics model.

The ab-initio theory of charge transport in semiconductors typically employs the lowest-order perturbation theory in which electrons interact with one phonon (1ph). This theory is accepted to be adequate to explain the low-field mobility of non-polar semiconductors but has not been tested extensively beyond the low-field regime. Here, we report first-principles calculations of the electric field-dependence of the electron mobility of Si as described by the warm electron coefficient, β.Although the 1ph theory overestimates the low-field mobility by only around 20%, it overestimates β by over a factor of two over a range of temperatures and crystallographic axes. We show that the discrepancy in β is reconciled by inclusion of on-shell iterated 2-phonon (2ph) scattering processes, indicating that scattering from higher-order electron-phonon interactions is non-negligible even in non-polar semiconductors. Further, a ∼ 20% underestimate of the low-field mobility with 2ph scattering suggests that non-trivial cancellations may occur in the perturbative expansion of the electron-phonon interaction.

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